CID 3852428

2-amino-6-methoxy-3-nitropyridine

Structural Information

Molecular Formula
C6H7N3O3
SMILES
COC1=NC(=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8)
InChIKey
RDJILYVRVOTMTQ-UHFFFAOYSA-N
Compound name
6-methoxy-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
Patents

169.04874 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 129.5
[M+Na]+ 192.037958 137.9
[M-H]- 168.041464 132.2
[M+NH4]+ 187.082563 147.5
[M+K]+ 208.011898 132.8
[M+H-H2O]+ 152.046000 127.6
[M+HCOO]- 214.046941 155.6
[M+CH3COO]- 228.062591 174.4
[M+Na-2H]- 190.023406 138.4
[M]+ 169.04819142 128.0
[M]- 169.04928858 128.0
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