CID 72153

Tolmesoxide

Structural Information

Molecular Formula
C10H14O3S
SMILES
CC1=CC(=C(C=C1S(=O)C)OC)OC
InChI
InChI=1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3
InChIKey
OZNTVIXYGTUPJY-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-4-methyl-5-methylsulfinylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

46
Patents

214.06636 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07364 145.1
[M+Na]+ 237.05558 157.6
[M+NH4]+ 232.10018 153.3
[M+K]+ 253.02952 150.1
[M-H]- 213.05908 146.8
[M+Na-2H]- 235.04103 150.2
[M]+ 214.06581 147.8
[M]- 214.06691 147.8
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