CID 11957734

(6z,9z,12z)-6,9,12,15-hexadecatetraenoic acid

Structural Information

Molecular Formula
C16H24O2
SMILES
C=CC/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8,10-11H,1,3,6,9,12-15H2,(H,17,18)/b5-4-,8-7-,11-10-
InChIKey
OKBAWLHHZWRDBE-YSTUJMKBSA-N
Compound name
(6Z,9Z,12Z)-hexadeca-6,9,12,15-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

248.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 164.1
[M+Na]+ 271.16685 168.3
[M-H]- 247.17035 161.5
[M+NH4]+ 266.21145 180.8
[M+K]+ 287.14079 162.9
[M+H-H2O]+ 231.17489 158.5
[M+HCOO]- 293.17583 183.7
[M+CH3COO]- 307.19148 193.1
[M+Na-2H]- 269.15230 164.3
[M]+ 248.17708 165.9
[M]- 248.17818 165.9
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