CID 250373

3-methyl-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

138.04292 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 123.0
[M+Na]+ 161.03214 137.4
[M+NH4]+ 156.07674 131.7
[M+K]+ 177.00608 133.9
[M-H]- 137.03564 126.2
[M+Na-2H]- 159.01759 130.8
[M]+ 138.04237 125.8
[M]- 138.04347 125.8
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