CID 11857456

1-(2-aminoethyl)-3-methylurea dihydrochloride

Structural Information

Molecular Formula

C₄H₁₁N₃O

SMILES

CNC(=O)NCCN

InChI

InChI=1S/C4H11N3O/c1-6-4(8)7-3-2-5/h2-3,5H2,1H3,(H2,6,7,8)

InChIKey

LSFPCCTYAJBRAC-UHFFFAOYSA-N

Compound name

1-(2-aminoethyl)-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 117.09021 Da
Monoisotopic Mass: -1.6
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]+	118.09749	123.9
[M+Na]+	140.07943	130.9
[M+NH4]+	135.12403	130.9
[M+K]+	156.05337	127.1
[M-H]-	116.08293	124.1
[M+Na-2H]-	138.06488	127.1
[M]+	117.08966	124.3
[M]-	117.09076	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe