CID 19605

Ethanol, 2-(phenethylthio)-

Structural Information

Molecular Formula
C10H14OS
SMILES
C1=CC=C(C=C1)CCSCCO
InChI
InChI=1S/C10H14OS/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
KGZHEXGRHGYQNI-UHFFFAOYSA-N
Compound name
2-(2-phenylethylsulfanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

182.07654 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08382 138.2
[M+Na]+ 205.06576 145.0
[M-H]- 181.06926 140.3
[M+NH4]+ 200.11036 158.1
[M+K]+ 221.03970 141.4
[M+H-H2O]+ 165.07380 132.5
[M+HCOO]- 227.07474 155.9
[M+CH3COO]- 241.09039 177.6
[M+Na-2H]- 203.05121 142.0
[M]+ 182.07599 140.2
[M]- 182.07709 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe