CID 80519

Methyl carbazate

Structural Information

Molecular Formula

C₂H₆N₂O₂

SMILES

COC(=O)NN

InChI

InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)

InChIKey

WFJRIDQGVSJLLH-UHFFFAOYSA-N

Compound name

methyl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 30
References: 2739
Patents: 90.04293 Da
Monoisotopic Mass: -0.8
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	114.1
[M+Na]+	113.03215	121.4
[M-H]-	89.035654	114.5
[M+NH4]+	108.07675	136.9
[M+K]+	129.00609	122.5
[M+H-H2O]+	73.040190	109.3
[M+HCOO]-	135.04113	140.3
[M+CH3COO]-	149.05678	166.6
[M+Na-2H]-	111.01760	121.3
[M]+	90.042381	112.5
[M]-	90.043479	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe