CID 345370

2-hydroxy-4-methyl-3-nitropyridine

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CC1=C(C(=O)NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-4-2-3-7-6(9)5(4)8(10)11/h2-3H,1H3,(H,7,9)
InChIKey
HZCWTTHQRMHIIE-UHFFFAOYSA-N
Compound name
4-methyl-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

154.03784 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe