CID 5312746

10-hydroxy-11-dodecenoic acid

Structural Information

Molecular Formula
C12H22O3
SMILES
C=CC(CCCCCCCCC(=O)O)O
InChI
InChI=1S/C12H22O3/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,11,13H,1,3-10H2,(H,14,15)
InChIKey
MEUHQOZYCJHRAS-UHFFFAOYSA-N
Compound name
10-hydroxydodec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 154.5
[M+Na]+ 237.146108 158.5
[M-H]- 213.149614 151.0
[M+NH4]+ 232.190713 171.7
[M+K]+ 253.120048 156.0
[M+H-H2O]+ 197.154150 149.3
[M+HCOO]- 259.155091 172.4
[M+CH3COO]- 273.170741 185.8
[M+Na-2H]- 235.131556 154.8
[M]+ 214.15634142 155.9
[M]- 214.15743858 155.9
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.