Galanolactone (C20H30O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CCCC([C@@H]1CCC3([C@@H]2C/C=C/4\CCOC4=O)CO3)(C)C

InChI

InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5+/t15-,16+,19-,20?/m0/s1

InChIKey

MBPTXJNHCBXMBP-BQORUNDISA-N

Compound name

(3E)-3-[2-[(1R,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]oxolan-2-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]+	319.226756	175.8
[M+Na]+	341.208698	182.8
[M-H]-	317.212204	185.8
[M+NH4]+	336.253303	191.6
[M+K]+	357.182638	182.7
[M+H-H2O]+	301.216740	171.0
[M+HCOO]-	363.217681	186.2
[M+CH3COO]-	377.233331	186.0
[M+Na-2H]-	339.194146	178.0
[M]+	318.21893142	175.4
[M]-	318.22002858	175.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

319.226756

175.8

[M+Na]+

341.208698

182.8

[M-H]-

317.212204

185.8

[M+NH4]+

336.253303

191.6

[M+K]+

357.182638

182.7

[M+H-H2O]+

301.216740

171.0

[M+HCOO]-

363.217681

186.2

[M+CH3COO]-

377.233331

186.0

[M+Na-2H]-

339.194146

178.0

[M]+

318.21893142

175.4

[M]-

318.22002858

175.4

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

Galanolactone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe