CID 5312745

12-hydroxy-10-dodecenoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
C(CCCCC(=O)O)CCC/C=C/CO
InChI
InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,13H,1-6,8,10-11H2,(H,14,15)/b9-7+
InChIKey
MEUNNLKXZZWRAR-VQHVLOKHSA-N
Compound name
(E)-12-hydroxydodec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 154.2
[M+Na]+ 237.14611 158.5
[M-H]- 213.14961 150.6
[M+NH4]+ 232.19071 171.5
[M+K]+ 253.12005 155.5
[M+H-H2O]+ 197.15415 148.9
[M+HCOO]- 259.15509 173.2
[M+CH3COO]- 273.17074 184.3
[M+Na-2H]- 235.13156 155.8
[M]+ 214.15634 156.2
[M]- 214.15744 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.