CID 80407

6258-60-2

Structural Information

Molecular Formula
C8H10OS
SMILES
COC1=CC=C(C=C1)CS
InChI
InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
InChIKey
PTDVPWWJRCOIIO-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3290
Patents

154.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 129.5
[M+Na]+ 177.03446 143.1
[M+NH4]+ 172.07906 139.7
[M+K]+ 193.00840 133.9
[M-H]- 153.03796 132.8
[M+Na-2H]- 175.01991 137.0
[M]+ 154.04469 133.0
[M]- 154.04579 133.0
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