CID 3084542

3-(dimethylamino)propylurea

Structural Information

Molecular Formula

C₆H₁₅N₃O

SMILES

CN(C)CCCNC(=O)N

InChI

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

InChIKey

IIVBUJGYWCCLNG-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2085
Patents: 145.1215 Da
Monoisotopic Mass: -0.6
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]+	146.12878	133.6
[M+Na]+	168.11072	138.4
[M-H]-	144.11422	134.7
[M+NH4]+	163.15532	154.4
[M+K]+	184.08466	139.5
[M+H-H2O]+	128.11876	127.4
[M+HCOO]-	190.11970	159.6
[M+CH3COO]-	204.13535	186.0
[M+Na-2H]-	166.09617	138.0
[M]+	145.12095	132.5
[M]-	145.12205	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe