CID 8832

1,3-bis(methoxymethyl)urea

Structural Information

Molecular Formula

C₅H₁₂N₂O₃

SMILES

COCNC(=O)NCOC

InChI

InChI=1S/C5H12N2O3/c1-9-3-6-5(8)7-4-10-2/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey

XKALZGSIEJZJCZ-UHFFFAOYSA-N

Compound name

1,3-bis(methoxymethyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1604
Patents: 148.0848 Da
Monoisotopic Mass: -0.7
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	130.5
[M+Na]+	171.07402	137.9
[M+NH4]+	166.11862	136.8
[M+K]+	187.04796	134.3
[M-H]-	147.07752	129.5
[M+Na-2H]-	169.05947	133.3
[M]+	148.08425	130.7
[M]-	148.08535	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe