CID 5312702

6-pentadecenoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCC/C=C/CCCCC(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h9-10H,2-8,11-14H2,1H3,(H,16,17)/b10-9+
InChIKey
VQDOIVGYJXZOQY-MDZDMXLPSA-N
Compound name
(E)-pentadec-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

240.20892 Da
Monoisotopic Mass

5.6
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

literature stripe

Patent stripe

patents stripe