CID 243169

2-methoxy-4-methyl-5-nitropyridine

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=CC(=NC=C1[N+](=O)[O-])OC
InChI
InChI=1S/C7H8N2O3/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3
InChIKey
DJNQRLCFAHKFLZ-UHFFFAOYSA-N
Compound name
2-methoxy-4-methyl-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

168.0535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.7
[M+Na]+ 191.04272 139.6
[M-H]- 167.04622 133.8
[M+NH4]+ 186.08732 149.5
[M+K]+ 207.01666 134.9
[M+H-H2O]+ 151.05076 129.1
[M+HCOO]- 213.05170 156.1
[M+CH3COO]- 227.06735 173.5
[M+Na-2H]- 189.02817 139.7
[M]+ 168.05295 131.4
[M]- 168.05405 131.4
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