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

0
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.5
[M+Na]+ 195.09916 143.8
[M-H]- 171.10266 139.5
[M+NH4]+ 190.14376 159.9
[M+K]+ 211.07310 142.4
[M+H-H2O]+ 155.10720 135.1
[M+HCOO]- 217.10814 156.4
[M+CH3COO]- 231.12379 172.8
[M+Na-2H]- 193.08461 143.6
[M]+ 172.10939 134.6
[M]- 172.11049 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

No patent data available for this compound.