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

29
Patents

198.03891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.046186 136.2
[M+Na]+ 221.028128 143.8
[M-H]- 197.031634 139.1
[M+NH4]+ 216.072733 151.8
[M+K]+ 237.002068 134.4
[M+H-H2O]+ 181.036170 138.6
[M+HCOO]- 243.037111 162.2
[M+CH3COO]- 257.052761 176.1
[M+Na-2H]- 219.013576 145.6
[M]+ 198.03836142 132.1
[M]- 198.03945858 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