CID 2759596

4-methoxy-2-methylthiophenol

Structural Information

Molecular Formula
C8H10OS
SMILES
CC1=C(C=CC(=C1)OC)S
InChI
InChI=1S/C8H10OS/c1-6-5-7(9-2)3-4-8(6)10/h3-5,10H,1-2H3
InChIKey
WXKKTBSADLTBPS-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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 143.4
[M+NH4]+ 172.07906 139.7
[M+K]+ 193.00840 134.5
[M-H]- 153.03796 132.9
[M+Na-2H]- 175.01991 136.8
[M]+ 154.04469 133.1
[M]- 154.04579 133.1
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