CID 44390819

Trha

Structural Information

Molecular Formula
C23H34O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C23H34O2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-22H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
GGTVEFDAPOKWMQ-KUBAVDMBSA-N
Compound name
(5Z,8Z,11Z,14Z,17Z,20Z)-tricosa-5,8,11,14,17,20-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

342.2559 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 192.2
[M+Na]+ 365.24512 194.2
[M-H]- 341.24862 188.4
[M+NH4]+ 360.28972 205.1
[M+K]+ 381.21906 185.8
[M+H-H2O]+ 325.25316 185.5
[M+HCOO]- 387.25410 209.9
[M+CH3COO]- 401.26975 210.6
[M+Na-2H]- 363.23057 188.8
[M]+ 342.25535 194.9
[M]- 342.25645 194.9
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