CID 199188

Alpha-norpyridoxol hydrochloride

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=C(C=C(C=N1)CO)O
InChI
InChI=1S/C7H9NO2/c1-5-7(10)2-6(4-9)3-8-5/h2-3,9-10H,4H2,1H3
InChIKey
GMUFGAIZRAMTEN-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

361
Patents

139.06332 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.4
[M+Na]+ 162.05254 139.3
[M+NH4]+ 157.09714 134.3
[M+K]+ 178.02648 134.0
[M-H]- 138.05604 127.1
[M+Na-2H]- 160.03799 132.7
[M]+ 139.06277 128.3
[M]- 139.06387 128.3
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