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]+ 143.070266 126.0
[M+Na]+ 165.052208 132.5
[M-H]- 141.055714 128.6
[M+NH4]+ 160.096813 140.6
[M+K]+ 181.026148 134.9
[M+H-H2O]+ 125.060250 116.6
[M+HCOO]- 187.061191 146.3
[M+CH3COO]- 201.076841 176.5
[M+Na-2H]- 163.037656 129.3
[M]+ 142.06244142 134.5
[M]- 142.06353858 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.