CID 12359746

2-cyclopentyl-2-oxoacetic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1CCC(C1)C(=O)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6(7(9)10)5-3-1-2-4-5/h5H,1-4H2,(H,9,10)
InChIKey
JKWQNZHDFGTRMZ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

142.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 130.4
[M+Na]+ 165.05221 138.3
[M+NH4]+ 160.09681 137.6
[M+K]+ 181.02615 136.6
[M-H]- 141.05571 129.5
[M+Na-2H]- 163.03766 132.9
[M]+ 142.06244 130.7
[M]- 142.06354 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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