CID 54130249

72877-98-6

Structural Information

Molecular Formula

C₉H₂₀N₂O₅

SMILES

C(COCCO)NC(=O)NCCOCCO

InChI

InChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14)

InChIKey

NTVMILOZMRGPCB-UHFFFAOYSA-N

Compound name

1,3-bis[2-(2-hydroxyethoxy)ethyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 236.13722 Da
Monoisotopic Mass: -2.3
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]+	237.14450	153.9
[M+Na]+	259.12644	158.4
[M+NH4]+	254.17104	157.6
[M+K]+	275.10038	155.6
[M-H]-	235.12994	150.5
[M+Na-2H]-	257.11189	153.5
[M]+	236.13667	152.7
[M]-	236.13777	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe