CID 81908858

Akos020890914

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

CNC(=O)N1CC(C1)N

InChI

InChI=1S/C5H11N3O/c1-7-5(9)8-2-4(6)3-8/h4H,2-3,6H2,1H3,(H,7,9)

InChIKey

OKWCNWNXSOLSSA-UHFFFAOYSA-N

Compound name

3-amino-N-methylazetidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.09021 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	130.09749	130.1
[M+Na]+	152.07943	134.9
[M-H]-	128.08293	131.8
[M+NH4]+	147.12403	143.4
[M+K]+	168.05337	137.9
[M+H-H2O]+	112.08747	118.0
[M+HCOO]-	174.08841	151.6
[M+CH3COO]-	188.10406	179.0
[M+Na-2H]-	150.06488	134.2
[M]+	129.08966	134.7
[M]-	129.09076	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.