CID 57190524

1-(3-aminopropyl)-3,3-dimethylurea hydrochloride

Structural Information

Molecular Formula

C₆H₁₅N₃O

SMILES

CN(C)C(=O)NCCCN

InChI

InChI=1S/C6H15N3O/c1-9(2)6(10)8-5-3-4-7/h3-5,7H2,1-2H3,(H,8,10)

InChIKey

GLNXPRLFHQWZBQ-UHFFFAOYSA-N

Compound name

3-(3-aminopropyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 145.1215 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]+	146.12878	133.8
[M+Na]+	168.11072	138.8
[M-H]-	144.11422	135.0
[M+NH4]+	163.15532	154.8
[M+K]+	184.08466	139.9
[M+H-H2O]+	128.11876	127.7
[M+HCOO]-	190.11970	159.9
[M+CH3COO]-	204.13535	185.3
[M+Na-2H]-	166.09617	138.2
[M]+	145.12095	132.7
[M]-	145.12205	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe