CID 12772784

2-methoxy-4-methylbenzenethiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

154.04524 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe