CID 84910

N,n'-bis(2-hydroxyethyl)urea

Structural Information

Molecular Formula

C₅H₁₂N₂O₃

SMILES

C(CO)NC(=O)NCCO

InChI

InChI=1S/C5H12N2O3/c8-3-1-6-5(10)7-2-4-9/h8-9H,1-4H2,(H2,6,7,10)

InChIKey

KSYGJAFGQWTAFW-UHFFFAOYSA-N

Compound name

1,3-bis(2-hydroxyethyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1155
Patents: 148.0848 Da
Monoisotopic Mass: -2.0
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	130.9
[M+Na]+	171.07402	136.0
[M-H]-	147.07752	128.4
[M+NH4]+	166.11862	150.1
[M+K]+	187.04796	135.3
[M+H-H2O]+	131.08206	125.5
[M+HCOO]-	193.08300	153.9
[M+CH3COO]-	207.09865	173.5
[M+Na-2H]-	169.05947	136.5
[M]+	148.08425	129.0
[M]-	148.08535	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe