CID 57171619

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

Structural Information

Molecular Formula
C7H10O3
SMILES
CCC1(CC(=O)C1)C(=O)O
InChI
InChI=1S/C7H10O3/c1-2-7(6(9)10)3-5(8)4-7/h2-4H2,1H3,(H,9,10)
InChIKey
MSDDOSDFYLRXIF-UHFFFAOYSA-N
Compound name
1-ethyl-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 127.6
[M+Na]+ 165.05221 134.1
[M-H]- 141.05571 130.3
[M+NH4]+ 160.09681 143.9
[M+K]+ 181.02615 136.4
[M+H-H2O]+ 125.06025 119.4
[M+HCOO]- 187.06119 147.8
[M+CH3COO]- 201.07684 174.9
[M+Na-2H]- 163.03766 132.6
[M]+ 142.06244 136.0
[M]- 142.06354 136.0
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

patents stripe