CID 81288

Urea, n,n'-bis(2-methoxyethyl)-

Structural Information

Molecular Formula

C₇H₁₆N₂O₃

SMILES

COCCNC(=O)NCCOC

InChI

InChI=1S/C7H16N2O3/c1-11-5-3-8-7(10)9-4-6-12-2/h3-6H2,1-2H3,(H2,8,9,10)

InChIKey

CNVTWOGSWZHYAR-UHFFFAOYSA-N

Compound name

1,3-bis(2-methoxyethyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 176.11609 Da
Monoisotopic Mass: -0.9
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]+	177.12337	139.1
[M+Na]+	199.10531	144.2
[M-H]-	175.10881	139.1
[M+NH4]+	194.14991	158.6
[M+K]+	215.07925	144.9
[M+H-H2O]+	159.11335	133.0
[M+HCOO]-	221.11429	164.5
[M+CH3COO]-	235.12994	184.6
[M+Na-2H]-	197.09076	144.7
[M]+	176.11554	141.9
[M]-	176.11664	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe