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 127.9
[M+Na]+ 189.03829 135.3
[M-H]- 165.04179 132.1
[M+NH4]+ 184.08289 146.3
[M+K]+ 205.01223 130.3
[M+H-H2O]+ 149.04633 125.3
[M+HCOO]- 211.04727 157.1
[M+CH3COO]- 225.06292 178.6
[M+Na-2H]- 187.02374 139.4
[M]+ 166.04852 126.1
[M]- 166.04962 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