CID 349189

3-(4-hydroxycyclohexyl)propanoic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
C1CC(CCC1CCC(=O)O)O
InChI
InChI=1S/C9H16O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7-8,10H,1-6H2,(H,11,12)
InChIKey
OGDXZMKZOMXYPV-UHFFFAOYSA-N
Compound name
3-(4-hydroxycyclohexyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

172.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.7
[M+Na]+ 195.099158 143.0
[M-H]- 171.102664 138.7
[M+NH4]+ 190.143763 157.4
[M+K]+ 211.073098 141.4
[M+H-H2O]+ 155.107200 133.6
[M+HCOO]- 217.108141 155.7
[M+CH3COO]- 231.123791 174.4
[M+Na-2H]- 193.084606 141.0
[M]+ 172.10939142 133.9
[M]- 172.11048858 133.9
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

patents stripe