CID 204506

(3-hydroxypropyl)urea

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

C(CNC(=O)N)CO

InChI

InChI=1S/C4H10N2O2/c5-4(8)6-2-1-3-7/h7H,1-3H2,(H3,5,6,8)

InChIKey

DNPHEDNKXRMPAX-UHFFFAOYSA-N

Compound name

3-hydroxypropylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 933
Patents: 118.07423 Da
Monoisotopic Mass: -1.4
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]+	119.08151	123.6
[M+Na]+	141.06345	129.6
[M-H]-	117.06695	122.2
[M+NH4]+	136.10805	144.5
[M+K]+	157.03739	129.2
[M+H-H2O]+	101.07149	118.5
[M+HCOO]-	163.07243	147.6
[M+CH3COO]-	177.08808	170.8
[M+Na-2H]-	139.04890	129.2
[M]+	118.07368	120.9
[M]-	118.07478	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe