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

215
Patents

154.04907 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05635 124.7
[M+Na]+ 177.03829 132.8
[M-H]- 153.04179 127.0
[M+NH4]+ 172.08289 142.8
[M+K]+ 193.01223 127.0
[M+H-H2O]+ 137.04633 122.8
[M+HCOO]- 199.04727 151.3
[M+CH3COO]- 213.06292 173.5
[M+Na-2H]- 175.02374 133.5
[M]+ 154.04852 119.8
[M]- 154.04962 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