CID 78385431

35945-70-1

Structural Information

Molecular Formula

C₁₇H₂₄O₄

SMILES

CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C

InChI

InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3

InChIKey

ZZZDGYZKGIPSPD-UHFFFAOYSA-N

Compound name

(3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 292.16745 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

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]+	293.174726	167.4
[M+Na]+	315.156668	174.7
[M-H]-	291.160174	174.2
[M+NH4]+	310.201273	190.8
[M+K]+	331.130608	172.3
[M+H-H2O]+	275.164710	164.4
[M+HCOO]-	337.165651	182.6
[M+CH3COO]-	351.181301	201.4
[M+Na-2H]-	313.142116	166.7
[M]+	292.16690142	165.9
[M]-	292.16799858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.