CID 22381326

61181-31-5

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

2
Annotation Hits: 0
References: 54
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]+	149.092076	130.4
[M+Na]+	171.074018	135.8
[M-H]-	147.077524	128.7
[M+NH4]+	166.118623	150.0
[M+K]+	187.047958	135.7
[M+H-H2O]+	131.082060	124.8
[M+HCOO]-	193.083001	154.3
[M+CH3COO]-	207.098651	176.0
[M+Na-2H]-	169.059466	135.5
[M]+	148.08425142	129.5
[M]-	148.08534858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe