CID 71606

Cyclopentylacetic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CCC(C1)CC(=O)O
InChI
InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
InChIKey
YVHAIVPPUIZFBA-UHFFFAOYSA-N
Compound name
2-cyclopentylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4264
Patents

128.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.9
[M+Na]+ 151.07294 133.5
[M-H]- 127.07644 129.6
[M+NH4]+ 146.11754 150.7
[M+K]+ 167.04688 132.7
[M+H-H2O]+ 111.08098 123.1
[M+HCOO]- 173.08192 149.0
[M+CH3COO]- 187.09757 167.4
[M+Na-2H]- 149.05839 131.1
[M]+ 128.08317 124.5
[M]- 128.08427 124.5
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.