CID 23227153

6-methyl-5-nitropyridin-3-ol

Structural Information

Molecular Formula
C6H6N2O3
SMILES
CC1=C(C=C(C=N1)O)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c1-4-6(8(10)11)2-5(9)3-7-4/h2-3,9H,1H3
InChIKey
HKHLUYLTPQBCPE-UHFFFAOYSA-N
Compound name
6-methyl-5-nitropyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

154.03784 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 126.3
[M+Na]+ 177.02706 140.0
[M+NH4]+ 172.07166 134.1
[M+K]+ 193.00100 137.6
[M-H]- 153.03056 128.5
[M+Na-2H]- 175.01251 132.8
[M]+ 154.03729 128.7
[M]- 154.03839 128.7
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