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

20
Patents

172.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.7
[M+Na]+ 195.09916 143.0
[M-H]- 171.10266 138.7
[M+NH4]+ 190.14376 157.4
[M+K]+ 211.07310 141.4
[M+H-H2O]+ 155.10720 133.6
[M+HCOO]- 217.10814 155.7
[M+CH3COO]- 231.12379 174.4
[M+Na-2H]- 193.08461 141.0
[M]+ 172.10939 133.9
[M]- 172.11049 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