CID 543854

14-pentadecenoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
C=CCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
InChIKey
CAHZYAQCDBBLER-UHFFFAOYSA-N
Compound name
pentadec-14-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

219
Patents

240.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.2
[M+Na]+ 263.198138 167.6
[M-H]- 239.201644 161.4
[M+NH4]+ 258.242743 181.1
[M+K]+ 279.172078 164.2
[M+H-H2O]+ 223.206180 158.3
[M+HCOO]- 285.207121 183.4
[M+CH3COO]- 299.222771 194.7
[M+Na-2H]- 261.183586 164.7
[M]+ 240.20837142 167.8
[M]- 240.20946858 167.8
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

patents stripe