CID 98849

2-methyl-4-nitropyridine

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=NC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O2/c1-5-4-6(8(9)10)2-3-7-5/h2-4H,1H3
InChIKey
HWPIDHRDNNZJSY-UHFFFAOYSA-N
Compound name
2-methyl-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

138.04292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 123.1
[M+Na]+ 161.032138 131.7
[M-H]- 137.035644 126.1
[M+NH4]+ 156.076743 142.9
[M+K]+ 177.006078 126.7
[M+H-H2O]+ 121.040180 121.7
[M+HCOO]- 183.041121 148.7
[M+CH3COO]- 197.056771 167.3
[M+Na-2H]- 159.017586 133.3
[M]+ 138.04237142 121.8
[M]- 138.04346858 121.8
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