CID 3653053

111625-28-6

Structural Information

Molecular Formula
C7H9NOS2
SMILES
C1=CC=NC(=C1)SSCCO
InChI
InChI=1S/C7H9NOS2/c9-5-6-10-11-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKey
PORTXTUJPQINJC-UHFFFAOYSA-N
Compound name
2-(pyridin-2-yldisulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

187.01256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01984 133.3
[M+Na]+ 210.00178 141.5
[M-H]- 186.00528 134.1
[M+NH4]+ 205.04638 151.8
[M+K]+ 225.97572 136.9
[M+H-H2O]+ 170.00982 127.3
[M+HCOO]- 232.01076 145.0
[M+CH3COO]- 246.02641 176.2
[M+Na-2H]- 207.98723 136.2
[M]+ 187.01201 135.3
[M]- 187.01311 135.3
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

No patent data available for this compound.