CID 24689109

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

Structural Information

Molecular Formula

C₉H₁₂O₂S

SMILES

COC1=CC=C(C=C1)OCCS

InChI

InChI=1S/C9H12O2S/c1-10-8-2-4-9(5-3-8)11-6-7-12/h2-5,12H,6-7H2,1H3

InChIKey

YTUFNFKPXWZGBT-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenoxy)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 184.0558 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.063076	136.4
[M+Na]+	207.045018	144.9
[M-H]-	183.048524	140.5
[M+NH4]+	202.089623	157.2
[M+K]+	223.018958	143.0
[M+H-H2O]+	167.053060	130.7
[M+HCOO]-	229.054001	156.2
[M+CH3COO]-	243.069651	180.3
[M+Na-2H]-	205.030466	140.6
[M]+	184.05525142	141.8
[M]-	184.05634858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe