CID 2759596

4-methoxy-2-methylbenzenethiol

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

67
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 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

No literature data available for this compound.

Patent stripe

patents stripe