CID 11217348

2,3-dimethyl-4-nitropyridine

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=C(C=CN=C1C)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O2/c1-5-6(2)8-4-3-7(5)9(10)11/h3-4H,1-2H3
InChIKey
WSQGOUOZNCRFNQ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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 127.4
[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

No literature data available for this compound.

Patent stripe

patents stripe