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

0
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 145.1
[M+Na]+ 236.07157 153.9
[M-H]- 212.07507 145.3
[M+NH4]+ 231.11617 162.5
[M+K]+ 252.04551 149.8
[M+H-H2O]+ 196.07961 139.3
[M+HCOO]- 258.08055 160.1
[M+CH3COO]- 272.09620 183.1
[M+Na-2H]- 234.05702 146.5
[M]+ 213.08180 148.3
[M]- 213.08290 148.3
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