CID 12758260

[3-(hydroxymethyl)pyridin-2-yl]methanol hydrochloride

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1=CC(=C(N=C1)CO)CO
InChI
InChI=1S/C7H9NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,9-10H,4-5H2
InChIKey
DFTLQVHYDAMGCG-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

139.06332 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.5
[M+Na]+ 162.05254 134.8
[M-H]- 138.05604 126.4
[M+NH4]+ 157.09714 145.7
[M+K]+ 178.02648 132.5
[M+H-H2O]+ 122.06058 120.8
[M+HCOO]- 184.06152 147.9
[M+CH3COO]- 198.07717 167.8
[M+Na-2H]- 160.03799 134.1
[M]+ 139.06277 125.7
[M]- 139.06387 125.7
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