CID 170914940

2-ethyl-3-oxocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
CCC1C(CC1=O)C(=O)O
InChI
InChI=1S/C7H10O3/c1-2-4-5(7(9)10)3-6(4)8/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
YXPCRYANVWNGMA-UHFFFAOYSA-N
Compound name
2-ethyl-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 126.0
[M+Na]+ 165.05221 132.5
[M-H]- 141.05571 128.6
[M+NH4]+ 160.09681 140.6
[M+K]+ 181.02615 134.9
[M+H-H2O]+ 125.06025 116.6
[M+HCOO]- 187.06119 146.3
[M+CH3COO]- 201.07684 176.5
[M+Na-2H]- 163.03766 129.3
[M]+ 142.06244 134.5
[M]- 142.06354 134.5
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.