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

3
Patents

164.03343 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.040706 134.6
[M+Na]+ 187.022648 144.1
[M-H]- 163.026154 136.3
[M+NH4]+ 182.067253 150.5
[M+K]+ 202.996588 138.8
[M+H-H2O]+ 147.030690 125.5
[M+HCOO]- 209.031631 156.0
[M+CH3COO]- 223.047281 186.7
[M+Na-2H]- 185.008096 142.0
[M]+ 164.03288142 126.5
[M]- 164.03397858 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