CID 3023913

N-ethyl-6-methoxy-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CCNC1=C(C=CC(=N1)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O3/c1-3-9-8-6(11(12)13)4-5-7(10-8)14-2/h4-5H,3H2,1-2H3,(H,9,10)
InChIKey
ASUQBRULJIRHPC-UHFFFAOYSA-N
Compound name
N-ethyl-6-methoxy-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.08005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.087326 138.7
[M+Na]+ 220.069268 146.2
[M-H]- 196.072774 141.5
[M+NH4]+ 215.113873 155.9
[M+K]+ 236.043208 141.0
[M+H-H2O]+ 180.077310 136.3
[M+HCOO]- 242.078251 164.7
[M+CH3COO]- 256.093901 181.3
[M+Na-2H]- 218.054716 147.6
[M]+ 197.07950142 138.9
[M]- 197.08059858 138.9
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