CID 55287953

3-(3-hydroxypropyl)-1,3-dimethylurea

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CNC(=O)N(C)CCCO

InChI

InChI=1S/C6H14N2O2/c1-7-6(10)8(2)4-3-5-9/h9H,3-5H2,1-2H3,(H,7,10)

InChIKey

QEDPOBBPBCBZNF-UHFFFAOYSA-N

Compound name

1-(3-hydroxypropyl)-1,3-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.10553 Da
Monoisotopic Mass: -0.8
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]+	147.11281	132.5
[M+Na]+	169.09475	139.9
[M+NH4]+	164.13935	139.2
[M+K]+	185.06869	136.3
[M-H]-	145.09825	131.9
[M+Na-2H]-	167.08020	135.1
[M]+	146.10498	132.9
[M]-	146.10608	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe