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

37
Patents

113.047676 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 120.1
[M+Na]+ 136.03689 126.0
[M-H]- 112.04040 123.4
[M+NH4]+ 131.08150 135.5
[M+K]+ 152.01083 128.9
[M+H-H2O]+ 96.044936 109.9
[M+HCOO]- 158.04588 142.5
[M+CH3COO]- 172.06153 174.0
[M+Na-2H]- 134.02234 124.4
[M]+ 113.04713 126.0
[M]- 113.04822 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