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

34
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 123.9
[M+Na]+ 136.03689 128.8
[M+NH4]+ 131.08150 127.5
[M+K]+ 152.01083 126.7
[M-H]- 112.04040 121.7
[M+Na-2H]- 134.02234 125.2
[M]+ 113.04713 122.4
[M]- 113.04822 122.4
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