CID 504340

2-amino-3,5-dinitropyridine

Structural Information

Molecular Formula
C5H4N4O4
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])N)[N+](=O)[O-]
InChI
InChI=1S/C5H4N4O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H,(H2,6,7)
InChIKey
QNZDCKBBTJYQDT-UHFFFAOYSA-N
Compound name
3,5-dinitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

184.02325 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03053 131.5
[M+Na]+ 207.01247 138.6
[M-H]- 183.01597 134.1
[M+NH4]+ 202.05707 147.2
[M+K]+ 222.98641 129.4
[M+H-H2O]+ 167.02051 133.7
[M+HCOO]- 229.02145 157.8
[M+CH3COO]- 243.03710 172.0
[M+Na-2H]- 204.99792 142.0
[M]+ 184.02270 126.7
[M]- 184.02380 126.7
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