CID 22381326

23194-10-7

Structural Information

Molecular Formula

C₅H₁₂N₂O₃

SMILES

C(COCCO)NC(=O)N

InChI

InChI=1S/C5H12N2O3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H3,6,7,9)

InChIKey

CDKJRDWXEROWDG-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 148.0848 Da
Monoisotopic Mass: -1.9
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]+	149.09208	130.5
[M+Na]+	171.07402	137.1
[M+NH4]+	166.11862	136.3
[M+K]+	187.04796	134.1
[M-H]-	147.07752	128.8
[M+Na-2H]-	169.05947	132.2
[M]+	148.08425	130.3
[M]-	148.08535	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe