CID 9964196

2-methyl-1-phenylpropane-1-thiol

Structural Information

Molecular Formula
C10H14S
SMILES
CC(C)C(C1=CC=CC=C1)S
InChI
InChI=1S/C10H14S/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKey
HCWYVIGTQCJCST-UHFFFAOYSA-N
Compound name
2-methyl-1-phenylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

166.08162 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08890 135.4
[M+Na]+ 189.07084 147.9
[M+NH4]+ 184.11544 145.7
[M+K]+ 205.04478 139.3
[M-H]- 165.07434 138.7
[M+Na-2H]- 187.05629 142.4
[M]+ 166.08107 138.7
[M]- 166.08217 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe