CID 3060311

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

Structural Information

Molecular Formula
C8H14O3
SMILES
C1CCC(C1)(CCO)C(=O)O
InChI
InChI=1S/C8H14O3/c9-6-5-8(7(10)11)3-1-2-4-8/h9H,1-6H2,(H,10,11)
InChIKey
PQKQWMVDKRDMBL-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 135.6
[M+Na]+ 181.08352 141.2
[M-H]- 157.08702 136.0
[M+NH4]+ 176.12812 158.4
[M+K]+ 197.05746 139.8
[M+H-H2O]+ 141.09156 131.7
[M+HCOO]- 203.09250 155.0
[M+CH3COO]- 217.10815 169.5
[M+Na-2H]- 179.06897 139.0
[M]+ 158.09375 132.4
[M]- 158.09485 132.4
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.