CID 417366

3-hydroxy-2,6-bis(hydroxymethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1=CC(=C(N=C1CO)CO)O
InChI
InChI=1S/C7H9NO3/c9-3-5-1-2-7(11)6(4-10)8-5/h1-2,9-11H,3-4H2
InChIKey
PFCXYKDOJQERJW-UHFFFAOYSA-N
Compound name
2,6-bis(hydroxymethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

155.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 130.0
[M+Na]+ 178.04746 138.7
[M-H]- 154.05096 128.8
[M+NH4]+ 173.09206 148.0
[M+K]+ 194.02140 136.0
[M+H-H2O]+ 138.05550 124.5
[M+HCOO]- 200.05644 150.0
[M+CH3COO]- 214.07209 168.6
[M+Na-2H]- 176.03291 136.3
[M]+ 155.05769 129.1
[M]- 155.05879 129.1
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