CID 55273724

2-(4-ethoxyphenyl)ethane-1-thiol

Structural Information

Molecular Formula
C10H14OS
SMILES
CCOC1=CC=C(C=C1)CCS
InChI
InChI=1S/C10H14OS/c1-2-11-10-5-3-9(4-6-10)7-8-12/h3-6,12H,2,7-8H2,1H3
InChIKey
PILBAYHYIHAEOI-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.07654 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08382 137.3
[M+Na]+ 205.06576 145.4
[M-H]- 181.06926 141.2
[M+NH4]+ 200.11036 158.2
[M+K]+ 221.03970 142.9
[M+H-H2O]+ 165.07380 131.6
[M+HCOO]- 227.07474 156.5
[M+CH3COO]- 241.09039 181.4
[M+Na-2H]- 203.05121 140.9
[M]+ 182.07599 141.5
[M]- 182.07709 141.5
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

patents stripe