CID 214301

28050-83-1

Structural Information

Molecular Formula
C6H6N4O2
SMILES
C=NNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N4O2/c1-7-9-6-3-2-5(4-8-6)10(11)12/h2-4H,1H2,(H,8,9)
InChIKey
DNRCHTGJMYXGPI-UHFFFAOYSA-N
Compound name
N-(methylideneamino)-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04907 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 129.3
[M+Na]+ 189.03829 141.6
[M+NH4]+ 184.08289 137.0
[M+K]+ 205.01223 138.6
[M-H]- 165.04179 133.1
[M+Na-2H]- 187.02374 136.8
[M]+ 166.04852 131.8
[M]- 166.04962 131.8
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.