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]+ 169.068156 133.5
[M+Na]+ 191.050098 141.3
[M-H]- 167.053604 136.3
[M+NH4]+ 186.094703 154.2
[M+K]+ 207.024038 138.5
[M+H-H2O]+ 151.058140 128.4
[M+HCOO]- 213.059081 150.5
[M+CH3COO]- 227.074731 176.5
[M+Na-2H]- 189.035546 136.1
[M]+ 168.06033142 134.9
[M]- 168.06142858 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.