CID 19034653

4-amino-3-nitropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=CN=C(C(=C1N)[N+](=O)[O-])C#N
InChI
InChI=1S/C6H4N4O2/c7-3-5-6(10(11)12)4(8)1-2-9-5/h1-2H,(H2,8,9)
InChIKey
GTIFNFKLFLJSIM-UHFFFAOYSA-N
Compound name
4-amino-3-nitropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

164.03343 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 134.6
[M+Na]+ 187.02265 144.1
[M-H]- 163.02615 136.3
[M+NH4]+ 182.06725 150.5
[M+K]+ 202.99659 138.8
[M+H-H2O]+ 147.03069 125.5
[M+HCOO]- 209.03163 156.0
[M+CH3COO]- 223.04728 186.7
[M+Na-2H]- 185.00810 142.0
[M]+ 164.03288 126.5
[M]- 164.03398 126.5
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

patents stripe