CID 5312764

12-hydroxy-8,10-heptadecadienoic acid

Structural Information

Molecular Formula
C17H30O3
SMILES
CCCCCC(/C=C/C=C/CCCCCCC(=O)O)O
InChI
InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h6,8,11,14,16,18H,2-5,7,9-10,12-13,15H2,1H3,(H,19,20)/b8-6+,14-11+
InChIKey
INVCGLRLLKLTGP-SIGMCMEVSA-N
Compound name
(8E,10E)-12-hydroxyheptadeca-8,10-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

282.21948 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22676 175.9
[M+Na]+ 305.20870 178.2
[M-H]- 281.21220 171.5
[M+NH4]+ 300.25330 190.4
[M+K]+ 321.18264 173.9
[M+H-H2O]+ 265.21674 169.9
[M+HCOO]- 327.21768 192.4
[M+CH3COO]- 341.23333 198.6
[M+Na-2H]- 303.19415 173.6
[M]+ 282.21893 178.3
[M]- 282.22003 178.3
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