CID 5312531

Mead acid

Structural Information

Molecular Formula
C20H34O2
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
InChIKey
UNSRRHDPHVZAHH-YOILPLPUSA-N
Compound name
(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

82
References

7310
Patents

306.2559 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 183.7
[M+Na]+ 329.24512 185.9
[M-H]- 305.24862 180.3
[M+NH4]+ 324.28972 198.1
[M+K]+ 345.21906 180.1
[M+H-H2O]+ 289.25316 177.2
[M+HCOO]- 351.25410 201.8
[M+CH3COO]- 365.26975 206.0
[M+Na-2H]- 327.23057 181.7
[M]+ 306.25535 187.7
[M]- 306.25645 187.7
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