CID 206567

1-ethyl-3-methylurea

Structural Information

Molecular Formula

C₄H₁₀N₂O

SMILES

CCNC(=O)NC

InChI

InChI=1S/C4H10N2O/c1-3-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7)

InChIKey

IABRWXCXQSTUSS-UHFFFAOYSA-N

Compound name

1-ethyl-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1121
Patents: 102.079315 Da
Monoisotopic Mass: -0.3
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]+	103.08659	120.2
[M+Na]+	125.06853	128.9
[M+NH4]+	120.11314	127.9
[M+K]+	141.04247	124.4
[M-H]-	101.07204	120.4
[M+Na-2H]-	123.05398	124.3
[M]+	102.07877	121.1
[M]-	102.07986	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe