CID 253219

2-methoxy-3-nitropyridine

Structural Information

Molecular Formula
C6H6N2O3
SMILES
COC1=C(C=CC=N1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-11-6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChIKey
WZNQCVOSOCGWJG-UHFFFAOYSA-N
Compound name
2-methoxy-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

154.03784 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 126.3
[M+Na]+ 177.027058 134.7
[M-H]- 153.030564 129.3
[M+NH4]+ 172.071663 145.4
[M+K]+ 193.000998 130.2
[M+H-H2O]+ 137.035100 124.6
[M+HCOO]- 199.036041 152.1
[M+CH3COO]- 213.051691 169.4
[M+Na-2H]- 175.012506 136.6
[M]+ 154.03729142 126.3
[M]- 154.03838858 126.3
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