CID 84958

2,6-dimethyl-3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

137
Patents

152.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.4
[M+Na]+ 175.04780 136.5
[M-H]- 151.05130 130.6
[M+NH4]+ 170.09240 147.0
[M+K]+ 191.02174 131.3
[M+H-H2O]+ 135.05584 126.1
[M+HCOO]- 197.05678 152.6
[M+CH3COO]- 211.07243 171.5
[M+Na-2H]- 173.03325 136.4
[M]+ 152.05803 126.8
[M]- 152.05913 126.8
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