CID 84801

6-methyl-2-nitropyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

443
Patents

154.03784 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 126.0
[M+Na]+ 177.02706 134.9
[M-H]- 153.03056 128.0
[M+NH4]+ 172.07166 144.7
[M+K]+ 193.00100 129.5
[M+H-H2O]+ 137.03510 124.9
[M+HCOO]- 199.03604 150.3
[M+CH3COO]- 213.05169 167.6
[M+Na-2H]- 175.01251 135.1
[M]+ 154.03729 124.5
[M]- 154.03839 124.5
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