CID 5312762

9-hexadecenoic acid, 16-hydroxy-

Structural Information

Molecular Formula
C16H30O3
SMILES
C(CCC/C=C/CCCCCCO)CCCC(=O)O
InChI
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3,17H,2,4-15H2,(H,18,19)/b3-1+
InChIKey
RPQJFAIEPUKQHK-HNQUOIGGSA-N
Compound name
(E)-16-hydroxyhexadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

786
Patents

270.21948 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.226756 172.2
[M+Na]+ 293.208698 174.7
[M-H]- 269.212204 167.8
[M+NH4]+ 288.253303 187.1
[M+K]+ 309.182638 170.7
[M+H-H2O]+ 253.216740 166.0
[M+HCOO]- 315.217681 189.7
[M+CH3COO]- 329.233331 196.3
[M+Na-2H]- 291.194146 171.6
[M]+ 270.21893142 175.6
[M]- 270.22002858 175.6
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.