CID 5368743

Alpha-bergamotenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC2CC1C2(C)CC/C=C(/C)\CO
InChI
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-
InChIKey
JGINTSAQGRHGMG-WZUFQYTHSA-N
Compound name
(Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

220.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 169.4
[M+Na]+ 243.17193 173.6
[M-H]- 219.17543 167.0
[M+NH4]+ 238.21653 187.1
[M+K]+ 259.14587 172.7
[M+H-H2O]+ 203.17997 160.9
[M+HCOO]- 265.18091 180.0
[M+CH3COO]- 279.19656 197.6
[M+Na-2H]- 241.15738 174.9
[M]+ 220.18216 181.0
[M]- 220.18326 181.0
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

patents stripe