CID 21766019

5-methyl-2-nitropyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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

No literature data available for this compound.

Patent stripe

patents stripe