CID 87602

4-methyl-2-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

138.04292 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe