CID 25067264

22620-34-4

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

268
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 123.2
[M+Na]+ 166.00302 133.2
[M-H]- 142.00652 124.5
[M+NH4]+ 161.04762 143.9
[M+K]+ 181.97696 129.6
[M+H-H2O]+ 126.01106 118.4
[M+HCOO]- 188.01200 141.6
[M+CH3COO]- 202.02765 169.3
[M+Na-2H]- 163.98847 131.6
[M]+ 143.01325 124.3
[M]- 143.01435 124.3
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