CID 120996

Sodium pyridoxine-5-thiosulfate

Structural Information

Molecular Formula
C8H11NO5S2
SMILES
CC1=NC=C(C(=C1O)CO)CSS(=O)(=O)O
InChI
InChI=1S/C8H11NO5S2/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H,12,13,14)
InChIKey
QKGZYJWGQVJOKQ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(hydroxymethyl)-2-methyl-5-(sulfosulfanylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.00787 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.01515 156.8
[M+Na]+ 287.99709 165.9
[M+NH4]+ 283.04169 162.0
[M+K]+ 303.97103 159.5
[M-H]- 264.00059 154.6
[M+Na-2H]- 285.98254 158.2
[M]+ 265.00732 158.1
[M]- 265.00842 158.1
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

No patent data available for this compound.