PubChemLite - Coriolin (C15H20O5)

Structural Information

Molecular Formula

SMILES

C[C@]12[C@H]3[C@H](CC([C@@H]3O)(C)C)[C@@H](C14C(O4)C(=O)[C@@]25CO5)O

InChI

InChI=1S/C15H20O5/c1-12(2)4-6-7(9(12)17)13(3)14(5-19-14)10(18)11-15(13,20-11)8(6)16/h6-9,11,16-17H,4-5H2,1-3H3/t6-,7-,8-,9+,11?,13+,14-,15?/m0/s1

InChIKey

OMAFWWAJLVYWPU-OVTUTYDCSA-N

Compound name

(2S,3S,6R,7R,8S,9S)-2,6-dihydroxy-5,5,8-trimethylspiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-10-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]+	281.13835	144.6
[M+Na]+	303.12029	155.3
[M+NH4]+	298.16489	157.6
[M+K]+	319.09423	154.1
[M-H]-	279.12379	160.4
[M+Na-2H]-	301.10574	153.6
[M]+	280.13052	153.2
[M]-	280.13162	153.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

281.13835

144.6

[M+Na]+

303.12029

155.3

[M+NH4]+

298.16489

157.6

[M+K]+

319.09423

154.1

[M-H]-

279.12379

160.4

[M+Na-2H]-

301.10574

153.6

[M]+

280.13052

153.2

[M]-

280.13162

153.2

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

Coriolin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe