CID 18795916

2-methyl-5-nitropyridin-4-ol

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CC1=CC(=O)C(=CN1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-4-2-6(9)5(3-7-4)8(10)11/h2-3H,1H3,(H,7,9)
InChIKey
FAKJFUXUIXKGNF-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

154.03784 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 125.3
[M+Na]+ 177.02706 134.5
[M-H]- 153.03056 127.2
[M+NH4]+ 172.07166 143.9
[M+K]+ 193.00100 128.4
[M+H-H2O]+ 137.03510 124.2
[M+HCOO]- 199.03604 149.7
[M+CH3COO]- 213.05169 166.6
[M+Na-2H]- 175.01251 134.4
[M]+ 154.03729 123.1
[M]- 154.03839 123.1
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