CID 13717481

2,4-dimethyl-3-nitropyridine

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=C(C(=NC=C1)C)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-5-3-4-8-6(2)7(5)9(10)11/h3-4H,1-2H3
InChIKey
MOQKFCFVTVIJJS-UHFFFAOYSA-N
Compound name
2,4-dimethyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

152.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.5
[M+Na]+ 175.04780 142.0
[M+NH4]+ 170.09240 136.0
[M+K]+ 191.02174 138.5
[M-H]- 151.05130 130.7
[M+Na-2H]- 173.03325 134.7
[M]+ 152.05803 130.4
[M]- 152.05913 130.4
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