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

35337
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 132.4
[M+Na]+ 165.08860 140.6
[M+NH4]+ 160.13320 140.4
[M+K]+ 181.06254 138.2
[M-H]- 141.09210 132.3
[M+Na-2H]- 163.07405 135.2
[M]+ 142.09883 133.1
[M]- 142.09993 133.1
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

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