CID 5312433

29259-52-7

Structural Information

Molecular Formula
C16H24O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-,13-12-
InChIKey
IVTCJQZAGWTMBZ-LTKCOYKYSA-N
Compound name
(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

248.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 164.4
[M+Na]+ 271.16685 168.6
[M-H]- 247.17035 161.8
[M+NH4]+ 266.21145 181.1
[M+K]+ 287.14079 163.2
[M+H-H2O]+ 231.17489 158.8
[M+HCOO]- 293.17583 184.0
[M+CH3COO]- 307.19148 192.4
[M+Na-2H]- 269.15230 164.6
[M]+ 248.17708 166.0
[M]- 248.17818 166.0
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