CID 95866

Methoxyurea

Structural Information

Molecular Formula

C₂H₆N₂O₂

SMILES

CONC(=O)N

InChI

InChI=1S/C2H6N2O2/c1-6-4-2(3)5/h1H3,(H3,3,4,5)

InChIKey

JOHLTMWXHJLNDE-UHFFFAOYSA-N

Compound name

methoxyurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 585
Patents: 90.04293 Da
Monoisotopic Mass: -1.0
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]+	91.050206	113.8
[M+Na]+	113.03215	121.0
[M-H]-	89.035654	114.2
[M+NH4]+	108.07675	136.5
[M+K]+	129.00609	122.2
[M+H-H2O]+	73.040190	109.0
[M+HCOO]-	135.04113	140.0
[M+CH3COO]-	149.05678	167.2
[M+Na-2H]-	111.01760	121.0
[M]+	90.042381	112.3
[M]-	90.043479	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe