CID 165232102

Bergstromic acid

Structural Information

Molecular Formula
C24H40O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H40O2/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/h3-4,6-7,9-10,12-13H,2,5,8,11,14-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-
InChIKey
IWSADGAQVYYXMM-LTKCOYKYSA-N
Compound name
(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.30283 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 199.7
[M+Na]+ 383.29205 200.6
[M-H]- 359.29555 195.5
[M+NH4]+ 378.33665 211.8
[M+K]+ 399.26599 193.1
[M+H-H2O]+ 343.30009 192.5
[M+HCOO]- 405.30103 216.6
[M+CH3COO]- 419.31668 216.5
[M+Na-2H]- 381.27750 195.7
[M]+ 360.30228 204.3
[M]- 360.30338 204.3
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.