CID 5282743

2-hexadecenoic acid

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCCCCCCCCC/C=C/C(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
InChIKey
ZVRMGCSSSYZGSM-CCEZHUSRSA-N
Compound name
(E)-hexadec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2153
Patents

254.22458 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 167.7
[M+Na]+ 277.21380 175.5
[M+NH4]+ 272.25840 173.3
[M+K]+ 293.18774 168.2
[M-H]- 253.21730 165.7
[M+Na-2H]- 275.19925 168.1
[M]+ 254.22403 167.9
[M]- 254.22513 167.9
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