CID 68701433

2,3-dimethyl-5-nitropyridin-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

168.0535 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe