CID 18769224

(3-aminopropyl)urea hydrochloride

Structural Information

Molecular Formula

C₄H₁₁N₃O

SMILES

C(CN)CNC(=O)N

InChI

InChI=1S/C4H11N3O/c5-2-1-3-7-4(6)8/h1-3,5H2,(H3,6,7,8)

InChIKey

MXURTTXZWPAHAH-UHFFFAOYSA-N

Compound name

3-aminopropylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
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	123.6
[M+Na]+	140.07943	130.2
[M+NH4]+	135.12403	130.4
[M+K]+	156.05337	126.8
[M-H]-	116.08293	123.6
[M+Na-2H]-	138.06488	126.3
[M]+	117.08966	123.9
[M]-	117.09076	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe