CID 12562878

3-methyl-1-(phenylsulfanyl)butan-2-ol

Structural Information

Molecular Formula
C11H16OS
SMILES
CC(C)C(CSC1=CC=CC=C1)O
InChI
InChI=1S/C11H16OS/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKey
JYKAAQDFSNKNJE-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylsulfanylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0922 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09948 143.5
[M+Na]+ 219.08142 149.2
[M-H]- 195.08492 145.6
[M+NH4]+ 214.12602 162.7
[M+K]+ 235.05536 146.4
[M+H-H2O]+ 179.08946 137.8
[M+HCOO]- 241.09040 158.8
[M+CH3COO]- 255.10605 182.3
[M+Na-2H]- 217.06687 144.6
[M]+ 196.09165 144.7
[M]- 196.09275 144.7
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.