CID 91694425

Germacranolide

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1C2C/C=C(/CC/C=C(/CC2OC1=O)\C)\C

InChI

InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,12-14H,4-5,8-9H2,1-3H3/b10-7+,11-6+

InChIKey

QJRFOUJEGHRZIU-NXAIOARDSA-N

Compound name

(5E,9E)-3,6,10-trimethyl-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 67
References: 0
Patents: 234.16199 Da
Monoisotopic Mass: 3.1
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]+	235.169266	150.6
[M+Na]+	257.151208	158.2
[M-H]-	233.154714	153.3
[M+NH4]+	252.195813	168.2
[M+K]+	273.125148	157.2
[M+H-H2O]+	217.159250	149.0
[M+HCOO]-	279.160191	168.9
[M+CH3COO]-	293.175841	189.6
[M+Na-2H]-	255.136656	151.6
[M]+	234.16144142	147.8
[M]-	234.16253858	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.