CID 5312748

12-hydroxy-3z,6z-dodecadienoic acid

Structural Information

Molecular Formula
C12H20O3
SMILES
C(CC/C=C\C/C=C\CC(=O)O)CCO
InChI
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-2,6,8,13H,3-5,7,9-11H2,(H,14,15)/b2-1-,8-6-
InChIKey
BSWDOBLGMLCOJP-NGNAIVRQSA-N
Compound name
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.14125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 152.9
[M+Na]+ 235.13047 157.5
[M-H]- 211.13397 149.4
[M+NH4]+ 230.17507 170.2
[M+K]+ 251.10441 153.9
[M+H-H2O]+ 195.13851 147.7
[M+HCOO]- 257.13945 172.0
[M+CH3COO]- 271.15510 182.8
[M+Na-2H]- 233.11592 154.5
[M]+ 212.14070 154.0
[M]- 212.14180 154.0
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