CID 5312416

(z)-13-hexadecenoic acid

Structural Information

Molecular Formula
C16H30O2
SMILES
CC/C=C\CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)/b4-3-
InChIKey
UFRASUJYZLLIJC-ARJAWSKDSA-N
Compound name
(Z)-hexadec-13-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

119
Patents

254.22458 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 168.9
[M+Na]+ 277.21380 172.0
[M-H]- 253.21730 166.1
[M+NH4]+ 272.25840 185.4
[M+K]+ 293.18774 168.4
[M+H-H2O]+ 237.22184 162.9
[M+HCOO]- 299.22278 187.8
[M+CH3COO]- 313.23843 197.0
[M+Na-2H]- 275.19925 168.9
[M]+ 254.22403 172.9
[M]- 254.22513 172.9
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