CID 90604

Dimethyl cyanocarbonimidate

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

COC(=NC#N)OC

InChI

InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3

InChIKey

ZOKYZTUQSVAKHS-UHFFFAOYSA-N

Compound name

dimethoxymethylidenecyanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 129
Patents: 114.04293 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]+	115.050206	118.9
[M+Na]+	137.032148	128.4
[M-H]-	113.035654	121.4
[M+NH4]+	132.076753	139.9
[M+K]+	153.006088	130.0
[M+H-H2O]+	97.040190	107.5
[M+HCOO]-	159.041131	141.9
[M+CH3COO]-	173.056781	185.0
[M+Na-2H]-	135.017596	126.4
[M]+	114.04238142	116.7
[M]-	114.04347858	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe