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

291
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 121.9
[M+Na]+ 148.03689 130.6
[M-H]- 124.04040 122.0
[M+NH4]+ 143.08150 141.6
[M+K]+ 164.01083 128.6
[M+H-H2O]+ 108.04494 116.4
[M+HCOO]- 170.04588 143.6
[M+CH3COO]- 184.06153 164.7
[M+Na-2H]- 146.02234 130.1
[M]+ 125.04713 120.7
[M]- 125.04822 120.7
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