CID 10725891

[4-chloro-6-(hydroxymethyl)pyridin-2-yl]methanol

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
C1=C(C=C(N=C1CO)CO)Cl
InChI
InChI=1S/C7H8ClNO2/c8-5-1-6(3-10)9-7(2-5)4-11/h1-2,10-11H,3-4H2
InChIKey
KNVOMOMGVSFATE-UHFFFAOYSA-N
Compound name
[4-chloro-6-(hydroxymethyl)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

173.02435 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03163 131.1
[M+Na]+ 196.01357 141.1
[M-H]- 172.01707 131.2
[M+NH4]+ 191.05817 150.1
[M+K]+ 211.98751 136.9
[M+H-H2O]+ 156.02161 126.4
[M+HCOO]- 218.02255 147.9
[M+CH3COO]- 232.03820 172.9
[M+Na-2H]- 193.99902 137.6
[M]+ 173.02380 132.6
[M]- 173.02490 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe