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

30
Patents

184.0558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06308 136.4
[M+Na]+ 207.04502 144.9
[M-H]- 183.04852 140.5
[M+NH4]+ 202.08962 157.2
[M+K]+ 223.01896 143.0
[M+H-H2O]+ 167.05306 130.7
[M+HCOO]- 229.05400 156.2
[M+CH3COO]- 243.06965 180.3
[M+Na-2H]- 205.03047 140.6
[M]+ 184.05525 141.8
[M]- 184.05635 141.8
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