CID 54050

Ristianol

Structural Information

Molecular Formula
C8H11NOS
SMILES
C1=CN=CC=C1CSCCO
InChI
InChI=1S/C8H11NOS/c10-5-6-11-7-8-1-3-9-4-2-8/h1-4,10H,5-7H2
InChIKey
OYJOLTPPSDAGJC-UHFFFAOYSA-N
Compound name
2-(pyridin-4-ylmethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

169.05614 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06342 133.2
[M+Na]+ 192.04536 141.0
[M-H]- 168.04886 134.2
[M+NH4]+ 187.08996 152.3
[M+K]+ 208.01930 137.8
[M+H-H2O]+ 152.05340 127.1
[M+HCOO]- 214.05434 150.4
[M+CH3COO]- 228.06999 174.2
[M+Na-2H]- 190.03081 138.1
[M]+ 169.05559 135.0
[M]- 169.05669 135.0
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.