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	133.0
[M+Na]+	169.09475	138.4
[M-H]-	145.09825	133.4
[M+NH4]+	164.13935	153.8
[M+K]+	185.06869	139.4
[M+H-H2O]+	129.10279	127.5
[M+HCOO]-	191.10373	157.5
[M+CH3COO]-	205.11938	180.3
[M+Na-2H]-	167.08020	137.8
[M]+	146.10498	133.3
[M]-	146.10608	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe