CID 3480151

5-nitropyridine-2,3-diamine

Structural Information

Molecular Formula
C5H6N4O2
SMILES
C1=C(C=NC(=C1N)N)[N+](=O)[O-]
InChI
InChI=1S/C5H6N4O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,6H2,(H2,7,8)
InChIKey
JOQJNCSAEMIZOU-UHFFFAOYSA-N
Compound name
5-nitropyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

154.04907 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.056346 124.7
[M+Na]+ 177.038288 132.8
[M-H]- 153.041794 127.0
[M+NH4]+ 172.082893 142.8
[M+K]+ 193.012228 127.0
[M+H-H2O]+ 137.046330 122.8
[M+HCOO]- 199.047271 151.3
[M+CH3COO]- 213.062921 173.5
[M+Na-2H]- 175.023736 133.5
[M]+ 154.04852142 119.8
[M]- 154.04961858 119.8
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