CID 54527850

1137870-15-5

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CC(=O)N1CC(C1)N

InChI

InChI=1S/C5H10N2O/c1-4(8)7-2-5(6)3-7/h5H,2-3,6H2,1H3

InChIKey

YUJHTWYBKVAQEN-UHFFFAOYSA-N

Compound name

1-(3-aminoazetidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 114.079315 Da
Monoisotopic Mass: -1.4
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]+	115.08659	124.2
[M+Na]+	137.06853	130.1
[M-H]-	113.07204	126.1
[M+NH4]+	132.11314	138.6
[M+K]+	153.04247	133.1
[M+H-H2O]+	97.076575	113.2
[M+HCOO]-	159.07752	145.0
[M+CH3COO]-	173.09317	174.8
[M+Na-2H]-	135.05398	128.5
[M]+	114.07877	129.9
[M]-	114.07986	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe