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

70
Patents

154.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 127.3
[M+Na]+ 177.034458 137.2
[M-H]- 153.037964 132.1
[M+NH4]+ 172.079063 149.8
[M+K]+ 193.008398 135.2
[M+H-H2O]+ 137.042500 122.3
[M+HCOO]- 199.043441 147.2
[M+CH3COO]- 213.059091 176.5
[M+Na-2H]- 175.019906 131.4
[M]+ 154.04469142 131.3
[M]- 154.04578858 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