CID 2758638

685892-26-6

Structural Information

Molecular Formula
C10H14OS
SMILES
CC1=CC(=CC(=C1)SCCO)C
InChI
InChI=1S/C10H14OS/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7,11H,3-4H2,1-2H3
InChIKey
XYWRMYBOBPDQHW-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.07654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.083816 137.0
[M+Na]+ 205.065758 145.6
[M-H]- 181.069264 139.9
[M+NH4]+ 200.110363 157.6
[M+K]+ 221.039698 142.1
[M+H-H2O]+ 165.073800 131.8
[M+HCOO]- 227.074741 154.7
[M+CH3COO]- 241.090391 179.8
[M+Na-2H]- 203.051206 139.6
[M]+ 182.07599142 139.8
[M]- 182.07708858 139.8
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.