CID 58684648

Methyl n-(2-aminoethyl)-n-methylcarbamate hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CN(CCN)C(=O)OC

InChI

InChI=1S/C5H12N2O2/c1-7(4-3-6)5(8)9-2/h3-4,6H2,1-2H3

InChIKey

UKBBYDKNMUGVKA-UHFFFAOYSA-N

Compound name

methyl N-(2-aminoethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 132.08987 Da
Monoisotopic Mass: -0.8
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]+	133.09715	128.1
[M+Na]+	155.07909	134.4
[M-H]-	131.08259	129.5
[M+NH4]+	150.12369	149.9
[M+K]+	171.05303	136.1
[M+H-H2O]+	115.08713	122.6
[M+HCOO]-	177.08807	153.8
[M+CH3COO]-	191.10372	179.2
[M+Na-2H]-	153.06454	132.9
[M]+	132.08932	128.9
[M]-	132.09042	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe