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]+ 159.101576 135.6
[M+Na]+ 181.083518 141.2
[M-H]- 157.087024 136.0
[M+NH4]+ 176.128123 158.4
[M+K]+ 197.057458 139.8
[M+H-H2O]+ 141.091560 131.7
[M+HCOO]- 203.092501 155.0
[M+CH3COO]- 217.108151 169.5
[M+Na-2H]- 179.068966 139.0
[M]+ 158.09375142 132.4
[M]- 158.09484858 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.