CID 11792612

Nisinic acid

Structural Information

Molecular Formula
C24H36O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChI
InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
YHGJECVSSKXFCJ-KUBAVDMBSA-N
Compound name
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2686
Patents

356.27155 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27883 198.7
[M+Na]+ 379.26077 205.2
[M+NH4]+ 374.30537 193.7
[M+K]+ 395.23471 195.5
[M-H]- 355.26427 195.1
[M+Na-2H]- 377.24622 196.5
[M]+ 356.27100 197.9
[M]- 356.27210 197.9
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