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

73
Patents

152.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 127.4
[M+Na]+ 175.047798 136.5
[M-H]- 151.051304 130.6
[M+NH4]+ 170.092403 147.0
[M+K]+ 191.021738 131.3
[M+H-H2O]+ 135.055840 126.1
[M+HCOO]- 197.056781 152.6
[M+CH3COO]- 211.072431 171.5
[M+Na-2H]- 173.033246 136.4
[M]+ 152.05803142 126.8
[M]- 152.05912858 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