CID 5312559

5z,11z,17z-docosatrienoic acid

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCC/C=C\CCCC/C=C\CCCC/C=C\CCCC(=O)O
InChI
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h5-6,11-12,17-18H,2-4,7-10,13-16,19-21H2,1H3,(H,23,24)/b6-5-,12-11-,18-17-
InChIKey
WFZRFURXWIWUMA-CTUPJDJCSA-N
Compound name
(5Z,11Z,17Z)-docosa-5,11,17-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.28717 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.294446 192.5
[M+Na]+ 357.276388 193.9
[M-H]- 333.279894 188.7
[M+NH4]+ 352.320993 205.8
[M+K]+ 373.250328 187.5
[M+H-H2O]+ 317.284430 185.6
[M+HCOO]- 379.285371 209.9
[M+CH3COO]- 393.301021 212.0
[M+Na-2H]- 355.261836 189.5
[M]+ 334.28662142 197.2
[M]- 334.28771858 197.2
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.