CID 50989284

5-chloro-2-methoxypyridin-3-ol

Structural Information

Molecular Formula
C6H6ClNO2
SMILES
COC1=C(C=C(C=N1)Cl)O
InChI
InChI=1S/C6H6ClNO2/c1-10-6-5(9)2-4(7)3-8-6/h2-3,9H,1H3
InChIKey
DWGLBGDAIHJCDX-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxypyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

159.00871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.015986 125.7
[M+Na]+ 181.997928 136.6
[M-H]- 158.001434 127.4
[M+NH4]+ 177.042533 146.0
[M+K]+ 197.971868 133.5
[M+H-H2O]+ 142.005970 121.0
[M+HCOO]- 204.006911 144.3
[M+CH3COO]- 218.022561 172.4
[M+Na-2H]- 179.983376 133.3
[M]+ 159.00816142 128.7
[M]- 159.00925858 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