CID 419490

6-(hydroxymethyl)pyridin-3-ol

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1=CC(=NC=C1O)CO
InChI
InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2
InChIKey
NESFDGDRYVANBC-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

201
Patents

125.047676 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 122.2
[M+Na]+ 148.03689 134.9
[M+NH4]+ 143.08150 130.2
[M+K]+ 164.01083 129.6
[M-H]- 124.04040 122.8
[M+Na-2H]- 146.02234 129.0
[M]+ 125.04713 124.0
[M]- 125.04822 124.0
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