CID 3060307

Cyclohexanecarboxylic acid, 1-(2-hydroxyethyl)-, sodium salt

Structural Information

Molecular Formula
C9H16O3
SMILES
C1CCC(CC1)(CCO)C(=O)O
InChI
InChI=1S/C9H16O3/c10-7-6-9(8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)
InChIKey
VDCVDCGQFODZQS-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.5
[M+Na]+ 195.099158 143.8
[M-H]- 171.102664 139.5
[M+NH4]+ 190.143763 159.9
[M+K]+ 211.073098 142.4
[M+H-H2O]+ 155.107200 135.1
[M+HCOO]- 217.108141 156.4
[M+CH3COO]- 231.123791 172.8
[M+Na-2H]- 193.084606 143.6
[M]+ 172.10939142 134.6
[M]- 172.11048858 134.6
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