CID 66349323

1443348-43-3

Structural Information

Molecular Formula
C11H16OS
SMILES
CCCCSC1=CC=CC(=C1)CO
InChI
InChI=1S/C11H16OS/c1-2-3-7-13-11-6-4-5-10(8-11)9-12/h4-6,8,12H,2-3,7,9H2,1H3
InChIKey
GGDWECRJJYKYPS-UHFFFAOYSA-N
Compound name
(3-butylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.099476 142.1
[M+Na]+ 219.081418 149.4
[M-H]- 195.084924 144.4
[M+NH4]+ 214.126023 161.8
[M+K]+ 235.055358 145.6
[M+H-H2O]+ 179.089460 136.5
[M+HCOO]- 241.090401 159.5
[M+CH3COO]- 255.106051 181.7
[M+Na-2H]- 217.066866 144.8
[M]+ 196.09165142 144.9
[M]- 196.09274858 144.9
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.