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

66
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 150.6
[M+Na]+ 257.15121 158.2
[M-H]- 233.15471 153.3
[M+NH4]+ 252.19581 168.2
[M+K]+ 273.12515 157.2
[M+H-H2O]+ 217.15925 149.0
[M+HCOO]- 279.16019 168.9
[M+CH3COO]- 293.17584 189.6
[M+Na-2H]- 255.13666 151.6
[M]+ 234.16144 147.8
[M]- 234.16254 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.