CID 57051802

Methyl n-(2-aminoethyl)carbamate hydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

COC(=O)NCCN

InChI

InChI=1S/C4H10N2O2/c1-8-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)

InChIKey

ZLPCBYPQDSLNMY-UHFFFAOYSA-N

Compound name

methyl N-(2-aminoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 118.07423 Da
Monoisotopic Mass: -1.0
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]+	119.08151	123.3
[M+Na]+	141.06345	129.7
[M-H]-	117.06695	123.4
[M+NH4]+	136.10805	145.0
[M+K]+	157.03739	130.4
[M+H-H2O]+	101.07149	118.1
[M+HCOO]-	163.07243	148.8
[M+CH3COO]-	177.08808	172.7
[M+Na-2H]-	139.04890	129.4
[M]+	118.07368	122.5
[M]-	118.07478	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe