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

13
Patents

159.00871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.01599 125.7
[M+Na]+ 181.99793 136.6
[M-H]- 158.00143 127.4
[M+NH4]+ 177.04253 146.0
[M+K]+ 197.97187 133.5
[M+H-H2O]+ 142.00597 121.0
[M+HCOO]- 204.00691 144.3
[M+CH3COO]- 218.02256 172.4
[M+Na-2H]- 179.98338 133.3
[M]+ 159.00816 128.7
[M]- 159.00926 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