CID 10976824

(9z)-12-hydroxy-9-dodecenoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
C(CCC/C=C\CCO)CCCC(=O)O
InChI
InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,13H,1-4,6,8-11H2,(H,14,15)/b7-5-
InChIKey
AWMQDOYIFAMZEM-ALCCZGGFSA-N
Compound name
(Z)-12-hydroxydodec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 154.2
[M+Na]+ 237.146108 158.5
[M-H]- 213.149614 150.6
[M+NH4]+ 232.190713 171.5
[M+K]+ 253.120048 155.5
[M+H-H2O]+ 197.154150 148.9
[M+HCOO]- 259.155091 173.2
[M+CH3COO]- 273.170741 184.3
[M+Na-2H]- 235.131556 155.8
[M]+ 214.15634142 156.2
[M]- 214.15743858 156.2
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