CID 90402964

3-oxocyclobutane-1-carboxamide

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1C(CC1=O)C(=O)N
InChI
InChI=1S/C5H7NO2/c6-5(8)3-1-4(7)2-3/h3H,1-2H2,(H2,6,8)
InChIKey
QLRHRCMNDAZNLG-UHFFFAOYSA-N
Compound name
3-oxocyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

113.047676 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 120.1
[M+Na]+ 136.036894 126.0
[M-H]- 112.040400 123.4
[M+NH4]+ 131.081499 135.5
[M+K]+ 152.010834 128.9
[M+H-H2O]+ 96.044936 109.9
[M+HCOO]- 158.045877 142.5
[M+CH3COO]- 172.061527 174.0
[M+Na-2H]- 134.022342 124.4
[M]+ 113.04712742 126.0
[M]- 113.04822458 126.0
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