CID 5312560

7z,10z,13z-docosatrienoic acid

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCCCCC/C=C\C/C=C\C/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/h9-10,12-13,15-16H,2-8,11,14,17-21H2,1H3,(H,23,24)/b10-9-,13-12-,16-15-
InChIKey
OEPMAZVWYGAFLM-YOILPLPUSA-N
Compound name
(7Z,10Z,13Z)-docosa-7,10,13-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

334.28717 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 192.5
[M+Na]+ 357.27639 199.1
[M+NH4]+ 352.32099 196.4
[M+K]+ 373.25033 190.2
[M-H]- 333.27989 189.6
[M+Na-2H]- 355.26184 191.0
[M]+ 334.28662 192.1
[M]- 334.28772 192.1
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