CID 9964152

2-phenylpropane-2-thiol

Structural Information

Molecular Formula
C9H12S
SMILES
CC(C)(C1=CC=CC=C1)S
InChI
InChI=1S/C9H12S/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey
WBDRVMIJNFZLMN-UHFFFAOYSA-N
Compound name
2-phenylpropane-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

521
Patents

152.06598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07326 130.2
[M+Na]+ 175.05520 138.4
[M-H]- 151.05870 134.4
[M+NH4]+ 170.09980 152.3
[M+K]+ 191.02914 136.1
[M+H-H2O]+ 135.06324 125.3
[M+HCOO]- 197.06418 148.0
[M+CH3COO]- 211.07983 175.7
[M+Na-2H]- 173.04065 135.6
[M]+ 152.06543 131.9
[M]- 152.06653 131.9
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.