CID 64989017

1493605-67-6

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(=O)N1CC(C1)CN

InChI

InChI=1S/C6H12N2O/c1-5(9)8-3-6(2-7)4-8/h6H,2-4,7H2,1H3

InChIKey

YUTLQJWEGKHPKK-UHFFFAOYSA-N

Compound name

1-[3-(aminomethyl)azetidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 128.09496 Da
Monoisotopic Mass: -1.2
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]+	129.10224	128.9
[M+Na]+	151.08418	134.4
[M-H]-	127.08768	130.6
[M+NH4]+	146.12878	142.7
[M+K]+	167.05812	137.1
[M+H-H2O]+	111.09222	117.6
[M+HCOO]-	173.09316	149.4
[M+CH3COO]-	187.10881	177.8
[M+Na-2H]-	149.06963	132.6
[M]+	128.09441	134.9
[M]-	128.09551	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe