CID 14059031

(z)-alpha-bergamotenoic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=CCC2CC1C2(C)CC/C=C(\C)/C(=O)O
InChI
InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+
InChIKey
CTORLPNPQPAKGI-VZUCSPMQSA-N
Compound name
(E)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.3
[M+Na]+ 257.15121 161.0
[M+NH4]+ 252.19581 162.5
[M+K]+ 273.12515 154.8
[M-H]- 233.15471 151.0
[M+Na-2H]- 255.13666 152.4
[M]+ 234.16144 154.3
[M]- 234.16254 154.3
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.