CID 285303

2-amino-3,5-dinitro-6-methylpyridine

Structural Information

Molecular Formula
C6H6N4O4
SMILES
CC1=NC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
InChI
InChI=1S/C6H6N4O4/c1-3-4(9(11)12)2-5(10(13)14)6(7)8-3/h2H,1H3,(H2,7,8)
InChIKey
KWYALJWSYDOZON-UHFFFAOYSA-N
Compound name
6-methyl-3,5-dinitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

198.03891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04619 136.2
[M+Na]+ 221.02813 143.8
[M-H]- 197.03163 139.1
[M+NH4]+ 216.07273 151.8
[M+K]+ 237.00207 134.4
[M+H-H2O]+ 181.03617 138.6
[M+HCOO]- 243.03711 162.2
[M+CH3COO]- 257.05276 176.1
[M+Na-2H]- 219.01358 145.6
[M]+ 198.03836 132.1
[M]- 198.03946 132.1
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