CID 52855

Pyridoxin-4,5-dimethylenedisulfid hydrochlorid [german]

Structural Information

Molecular Formula
C8H9NOS2
SMILES
CC1=NC=C2CSSCC2=C1O
InChI
InChI=1S/C8H9NOS2/c1-5-8(10)7-4-12-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3
InChIKey
PEBMREZULUGGAP-UHFFFAOYSA-N
Compound name
7-methyl-1,4-dihydrodithiino[4,5-c]pyridin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.01256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01984 134.1
[M+Na]+ 222.00178 143.1
[M-H]- 198.00528 135.8
[M+NH4]+ 217.04638 153.5
[M+K]+ 237.97572 138.4
[M+H-H2O]+ 182.00982 129.0
[M+HCOO]- 244.01076 142.8
[M+CH3COO]- 258.02641 146.3
[M+Na-2H]- 219.98723 137.5
[M]+ 199.01201 133.9
[M]- 199.01311 133.9
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.