CID 25067264

(5-chloro-3-pyridinyl)methanol

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=C(C=NC=C1Cl)CO
InChI
InChI=1S/C6H6ClNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
InChIKey
ALUCWNPKIRQBEF-UHFFFAOYSA-N
Compound name
(5-chloropyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

143.0138 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 123.5
[M+Na]+ 166.00302 138.1
[M+NH4]+ 161.04762 132.8
[M+K]+ 181.97696 131.1
[M-H]- 142.00652 125.3
[M+Na-2H]- 163.98847 131.6
[M]+ 143.01325 126.4
[M]- 143.01435 126.4
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