CID 14751894

Azetidine-2-carboxamide

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CNC1C(=O)N
InChI
InChI=1S/C4H8N2O/c5-4(7)3-1-2-6-3/h3,6H,1-2H2,(H2,5,7)
InChIKey
KKCWBKUOPJMUQV-UHFFFAOYSA-N
Compound name
azetidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

728
Patents

100.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 120.8
[M+Na]+ 123.05288 125.7
[M-H]- 99.056384 121.0
[M+NH4]+ 118.09748 134.6
[M+K]+ 139.02682 127.9
[M+H-H2O]+ 83.060920 109.7
[M+HCOO]- 145.06186 140.4
[M+CH3COO]- 159.07751 168.9
[M+Na-2H]- 121.03833 125.7
[M]+ 100.06311 123.9
[M]- 100.06421 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe