CID 3021426

2,3-dimethyl-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
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

literature stripe

Patent stripe

patents stripe