CID 3023912

6-methoxy-3-nitro-n-propylpyridin-2-amine

Structural Information

Molecular Formula
C9H13N3O3
SMILES
CCCNC1=C(C=CC(=N1)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H13N3O3/c1-3-6-10-9-7(12(13)14)4-5-8(11-9)15-2/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKey
MVGVWQWWDOENQW-UHFFFAOYSA-N
Compound name
6-methoxy-3-nitro-N-propylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.09569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 143.5
[M+Na]+ 234.084908 150.5
[M-H]- 210.088414 146.1
[M+NH4]+ 229.129513 160.1
[M+K]+ 250.058848 145.1
[M+H-H2O]+ 194.092950 140.9
[M+HCOO]- 256.093891 169.2
[M+CH3COO]- 270.109541 184.4
[M+Na-2H]- 232.070356 151.9
[M]+ 211.09514142 144.1
[M]- 211.09623858 144.1
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