CID 433464

Schembl13327974

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CCOC(=O)NC1=NC(=C(C=C1)N)N
InChI
InChI=1S/C8H12N4O2/c1-2-14-8(13)12-6-4-3-5(9)7(10)11-6/h3-4H,2,9H2,1H3,(H3,10,11,12,13)
InChIKey
RSIXPOZFXSUXNL-UHFFFAOYSA-N
Compound name
ethyl N-(5,6-diaminopyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 141.7
[M+Na]+ 219.08524 148.9
[M-H]- 195.08874 143.7
[M+NH4]+ 214.12984 158.6
[M+K]+ 235.05918 147.3
[M+H-H2O]+ 179.09328 134.2
[M+HCOO]- 241.09422 166.8
[M+CH3COO]- 255.10987 190.0
[M+Na-2H]- 217.07069 146.6
[M]+ 196.09547 139.6
[M]- 196.09657 139.6
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.