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

76
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 127.3
[M+Na]+ 177.03446 137.2
[M-H]- 153.03796 132.1
[M+NH4]+ 172.07906 149.8
[M+K]+ 193.00840 135.2
[M+H-H2O]+ 137.04250 122.3
[M+HCOO]- 199.04344 147.2
[M+CH3COO]- 213.05909 176.5
[M+Na-2H]- 175.01991 131.4
[M]+ 154.04469 131.3
[M]- 154.04579 131.3
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