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

13
Patents

168.0535 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 129.5
[M+Na]+ 191.042718 139.3
[M-H]- 167.046224 131.7
[M+NH4]+ 186.087323 147.9
[M+K]+ 207.016658 132.9
[M+H-H2O]+ 151.050760 128.5
[M+HCOO]- 213.051701 153.6
[M+CH3COO]- 227.067351 170.9
[M+Na-2H]- 189.028166 137.5
[M]+ 168.05295142 128.1
[M]- 168.05404858 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