CID 10608677

(2,4,6-trimethoxyphenyl)methanethiol

Structural Information

Molecular Formula
C10H14O3S
SMILES
COC1=CC(=C(C(=C1)OC)CS)OC
InChI
InChI=1S/C10H14O3S/c1-11-7-4-9(12-2)8(6-14)10(5-7)13-3/h4-5,14H,6H2,1-3H3
InChIKey
WBBBQLNBASXWLG-UHFFFAOYSA-N
Compound name
(2,4,6-trimethoxyphenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

214.06636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07364 143.0
[M+Na]+ 237.05558 152.5
[M-H]- 213.05908 147.6
[M+NH4]+ 232.10018 163.1
[M+K]+ 253.02952 151.0
[M+H-H2O]+ 197.06362 137.2
[M+HCOO]- 259.06456 162.6
[M+CH3COO]- 273.08021 187.6
[M+Na-2H]- 235.04103 145.5
[M]+ 214.06581 150.9
[M]- 214.06691 150.9
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