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]+ 167.056346 127.9
[M+Na]+ 189.038288 135.3
[M-H]- 165.041794 132.1
[M+NH4]+ 184.082893 146.3
[M+K]+ 205.012228 130.3
[M+H-H2O]+ 149.046330 125.3
[M+HCOO]- 211.047271 157.1
[M+CH3COO]- 225.062921 178.6
[M+Na-2H]- 187.023736 139.4
[M]+ 166.04852142 126.1
[M]- 166.04961858 126.1
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