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
2
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]+ 170.063416 133.2
[M+Na]+ 192.045358 141.0
[M-H]- 168.048864 134.2
[M+NH4]+ 187.089963 152.3
[M+K]+ 208.019298 137.8
[M+H-H2O]+ 152.053400 127.1
[M+HCOO]- 214.054341 150.4
[M+CH3COO]- 228.069991 174.2
[M+Na-2H]- 190.030806 138.1
[M]+ 169.05559142 135.0
[M]- 169.05668858 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

patents stripe