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

literature stripe

Patent stripe

patents stripe