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

3939
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

literature stripe

Patent stripe

patents stripe