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]+ 197.09948 142.1
[M+Na]+ 219.08142 149.4
[M-H]- 195.08492 144.4
[M+NH4]+ 214.12602 161.8
[M+K]+ 235.05536 145.6
[M+H-H2O]+ 179.08946 136.5
[M+HCOO]- 241.09040 159.5
[M+CH3COO]- 255.10605 181.7
[M+Na-2H]- 217.06687 144.8
[M]+ 196.09165 144.9
[M]- 196.09275 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.