CID 3057346

5-ethylthiopyridoxin hydrochlorid [german]

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CCSCC1=CN=C(C(=C1CO)O)C
InChI
InChI=1S/C10H15NO2S/c1-3-14-6-8-4-11-7(2)10(13)9(8)5-12/h4,12-13H,3,5-6H2,1-2H3
InChIKey
CPNZLHLKWZMHRY-UHFFFAOYSA-N
Compound name
5-(ethylsulfanylmethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 147.1
[M+Na]+ 236.07157 159.1
[M+NH4]+ 231.11617 154.8
[M+K]+ 252.04551 151.2
[M-H]- 212.07507 147.9
[M+Na-2H]- 234.05702 151.4
[M]+ 213.08180 149.4
[M]- 213.08290 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe