CID 98687

3,3-bis(2-hydroxyethyl)urea

Structural Information

Molecular Formula

C₅H₁₂N₂O₃

SMILES

C(CO)N(CCO)C(=O)N

InChI

InChI=1S/C5H12N2O3/c6-5(10)7(1-3-8)2-4-9/h8-9H,1-4H2,(H2,6,10)

InChIKey

BQMXKMPREFOYHS-UHFFFAOYSA-N

Compound name

1,1-bis(2-hydroxyethyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 395
Patents: 148.0848 Da
Monoisotopic Mass: -2.2
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	131.1
[M+Na]+	171.07402	137.3
[M+NH4]+	166.11862	136.7
[M+K]+	187.04796	135.1
[M-H]-	147.07752	129.1
[M+Na-2H]-	169.05947	132.4
[M]+	148.08425	130.7
[M]-	148.08535	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe