CID 63834995

(1s)-1-[2-(methylsulfanyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C9H12OS
SMILES
C[C@@H](C1=CC=CC=C1SC)O
InChI
InChI=1S/C9H12OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7,10H,1-2H3/t7-/m0/s1
InChIKey
BZUCROKDRHBEBG-ZETCQYMHSA-N
Compound name
(1S)-1-(2-methylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06088 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06816 133.5
[M+Na]+ 191.05010 141.3
[M-H]- 167.05360 136.3
[M+NH4]+ 186.09470 154.2
[M+K]+ 207.02404 138.5
[M+H-H2O]+ 151.05814 128.4
[M+HCOO]- 213.05908 150.5
[M+CH3COO]- 227.07473 176.5
[M+Na-2H]- 189.03555 136.1
[M]+ 168.06033 134.9
[M]- 168.06143 134.9
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.