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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 118.9
[M+Na]+ 137.03215 128.4
[M-H]- 113.03565 121.4
[M+NH4]+ 132.07675 139.9
[M+K]+ 153.00609 130.0
[M+H-H2O]+ 97.040190 107.5
[M+HCOO]- 159.04113 141.9
[M+CH3COO]- 173.05678 185.0
[M+Na-2H]- 135.01760 126.4
[M]+ 114.04238 116.7
[M]- 114.04348 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.