CID 5312576

5,9,19-hexacosatrienoic acid

Structural Information

Molecular Formula
C26H46O2
SMILES
CCCCCC/C=C/CCCCCCCC/C=C/CC/C=C/CCCC(=O)O
InChI
InChI=1S/C26H46O2/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(27)28/h7-8,17-18,21-22H,2-6,9-16,19-20,23-25H2,1H3,(H,27,28)/b8-7+,18-17+,22-21+
InChIKey
AVXZCQUJHUWUHY-NJRCAOQKSA-N
Compound name
(5E,9E,19E)-hexacosa-5,9,19-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

390.3498 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.35708 209.9
[M+Na]+ 413.33902 209.5
[M-H]- 389.34252 205.2
[M+NH4]+ 408.38362 220.8
[M+K]+ 429.31296 202.1
[M+H-H2O]+ 373.34706 202.2
[M+HCOO]- 435.34800 225.9
[M+CH3COO]- 449.36365 223.8
[M+Na-2H]- 411.32447 204.7
[M]+ 390.34925 216.0
[M]- 390.35035 216.0
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

patents stripe