CID 602810

55661-09-1

Structural Information

Molecular Formula
C10H14OS
SMILES
CC1=CC(=CC(=C1SC)C)OC
InChI
InChI=1S/C10H14OS/c1-7-5-9(11-3)6-8(2)10(7)12-4/h5-6H,1-4H3
InChIKey
BXBMJYKQQYLUDN-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-dimethyl-2-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.07654 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.083816 135.6
[M+Na]+ 205.065758 145.5
[M-H]- 181.069264 140.3
[M+NH4]+ 200.110363 157.2
[M+K]+ 221.039698 143.0
[M+H-H2O]+ 165.073800 130.4
[M+HCOO]- 227.074741 154.7
[M+CH3COO]- 241.090391 183.7
[M+Na-2H]- 203.051206 138.0
[M]+ 182.07599142 140.7
[M]- 182.07708858 140.7
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

No patent data available for this compound.