CID 13346650

Berthelotic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCC/C=C\CCCCCCC(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h7-8H,2-6,9-14H2,1H3,(H,16,17)/b8-7-
InChIKey
GHXWIZSKXZULAN-FPLPWBNLSA-N
Compound name
(Z)-pentadec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.4
[M+Na]+ 263.198138 167.9
[M-H]- 239.201644 161.7
[M+NH4]+ 258.242743 181.4
[M+K]+ 279.172078 164.6
[M+H-H2O]+ 223.206180 158.6
[M+HCOO]- 285.207121 183.6
[M+CH3COO]- 299.222771 194.0
[M+Na-2H]- 261.183586 164.9
[M]+ 240.20837142 168.0
[M]- 240.20946858 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.