CID 52922002

7z,13z,16z-docosatrienoic acid

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCC/C=C\C/C=C\CCCC/C=C\CCCCCC(=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/h6-7,9-10,15-16H,2-5,8,11-14,17-21H2,1H3,(H,23,24)/b7-6-,10-9-,16-15-
InChIKey
GUHKSOUIJGCNGR-URZBRJKDSA-N
Compound name
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.28717 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 192.5
[M+Na]+ 357.27639 193.9
[M-H]- 333.27989 188.7
[M+NH4]+ 352.32099 205.8
[M+K]+ 373.25033 187.5
[M+H-H2O]+ 317.28443 185.6
[M+HCOO]- 379.28537 209.9
[M+CH3COO]- 393.30102 212.0
[M+Na-2H]- 355.26184 189.5
[M]+ 334.28662 197.2
[M]- 334.28772 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.