CID 12294728

2-cyclopentylpropanoic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C1CCCC1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-6(8(9)10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
HXUKLEOOKNOIJM-UHFFFAOYSA-N
Compound name
2-cyclopentylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40010
Patents

142.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 133.0
[M+Na]+ 165.08860 137.9
[M-H]- 141.09210 134.6
[M+NH4]+ 160.13320 155.1
[M+K]+ 181.06254 137.3
[M+H-H2O]+ 125.09664 128.1
[M+HCOO]- 187.09758 152.7
[M+CH3COO]- 201.11323 171.3
[M+Na-2H]- 163.07405 134.3
[M]+ 142.09883 129.2
[M]- 142.09993 129.2
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