CID 3370517

5-nitropyridine-3,4-diamine

Structural Information

Molecular Formula
C5H6N4O2
SMILES
C1=C(C(=C(C=N1)[N+](=O)[O-])N)N
InChI
InChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
InChIKey
OMUADEPNIQXNRG-UHFFFAOYSA-N
Compound name
5-nitropyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

154.04907 Da
Monoisotopic Mass

-0.1
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

literature stripe

Patent stripe

patents stripe