PubChemLite - (1ar,7as,10as,10bs)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1ah)-one (C15H20O3)

Structural Information

Molecular Formula

SMILES

C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C

InChI

InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1

InChIKey

KTEXNACQROZXEV-SLXBATTESA-N

Compound name

(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.14853	150.3
[M+Na]+	271.13047	160.5
[M-H]-	247.13397	155.4
[M+NH4]+	266.17507	164.1
[M+K]+	287.10441	160.7
[M+H-H2O]+	231.13851	149.9
[M+HCOO]-	293.13945	165.3
[M+CH3COO]-	307.15510	194.1
[M+Na-2H]-	269.11592	154.3
[M]+	248.14070	151.8
[M]-	248.14180	151.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

249.14853

150.3

[M+Na]+

271.13047

160.5

[M-H]-

247.13397

155.4

[M+NH4]+

266.17507

164.1

[M+K]+

287.10441

160.7

[M+H-H2O]+

231.13851

149.9

[M+HCOO]-

293.13945

165.3

[M+CH3COO]-

307.15510

194.1

[M+Na-2H]-

269.11592

154.3

[M]+

248.14070

151.8

[M]-

248.14180

151.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(1ar,7as,10as,10bs)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1ah)-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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