CID 66347193

1443307-40-1

Structural Information

Molecular Formula
C10H14OS
SMILES
CCCSC1=CC=CC(=C1)CO
InChI
InChI=1S/C10H14OS/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7,11H,2,6,8H2,1H3
InChIKey
PICICTDSZNKJLU-UHFFFAOYSA-N
Compound name
(3-propylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.07654 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.083816 137.7
[M+Na]+ 205.065758 145.4
[M-H]- 181.069264 140.2
[M+NH4]+ 200.110363 157.9
[M+K]+ 221.039698 141.8
[M+H-H2O]+ 165.073800 132.2
[M+HCOO]- 227.074741 155.4
[M+CH3COO]- 241.090391 178.7
[M+Na-2H]- 203.051206 140.9
[M]+ 182.07599142 140.1
[M]- 182.07708858 140.1
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.