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

43
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 134.6
[M+Na]+ 189.07084 141.3
[M-H]- 165.07434 138.4
[M+NH4]+ 184.11544 155.8
[M+K]+ 205.04478 139.3
[M+H-H2O]+ 149.07888 129.1
[M+HCOO]- 211.07982 151.5
[M+CH3COO]- 225.09547 180.1
[M+Na-2H]- 187.05629 136.6
[M]+ 166.08107 135.9
[M]- 166.08217 135.9
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.