CID 264620

5,6-dimethyl-3-nitro-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=C(NC(=O)C(=C1)[N+](=O)[O-])C
InChI
InChI=1S/C7H8N2O3/c1-4-3-6(9(11)12)7(10)8-5(4)2/h3H,1-2H3,(H,8,10)
InChIKey
AAODRZMUIIDRJX-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

62
Patents

168.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 129.5
[M+Na]+ 191.04272 139.3
[M-H]- 167.04622 131.7
[M+NH4]+ 186.08732 147.9
[M+K]+ 207.01666 132.9
[M+H-H2O]+ 151.05076 128.5
[M+HCOO]- 213.05170 153.6
[M+CH3COO]- 227.06735 170.9
[M+Na-2H]- 189.02817 137.5
[M]+ 168.05295 128.1
[M]- 168.05405 128.1
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