CID 9575808

Chembl294736

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CO/N=C(\C#N)/C(=O)NCC1=CN=CC=C1
InChI
InChI=1S/C10H10N4O2/c1-16-14-9(5-11)10(15)13-7-8-3-2-4-12-6-8/h2-4,6H,7H2,1H3,(H,13,15)/b14-9+
InChIKey
DFGJGZIYCNUBDO-NTEUORMPSA-N
Compound name
(1E)-N-methoxy-2-oxo-2-(pyridin-3-ylmethylamino)ethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.08037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 149.1
[M+Na]+ 241.06959 156.2
[M-H]- 217.07309 151.3
[M+NH4]+ 236.11419 163.7
[M+K]+ 257.04353 155.0
[M+H-H2O]+ 201.07763 134.1
[M+HCOO]- 263.07857 170.1
[M+CH3COO]- 277.09422 204.4
[M+Na-2H]- 239.05504 154.5
[M]+ 218.07982 144.5
[M]- 218.08092 144.5
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.