CID 21525286

28289-44-3

Structural Information

Molecular Formula
C10H15S
SMILES
C[S+](C)CCC1=CC=CC=C1
InChI
InChI=1S/C10H15S/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/q+1
InChIKey
SRWLGDMHQDLOSA-UHFFFAOYSA-N
Compound name
dimethyl(2-phenylethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.08945 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09673 134.5
[M+Na]+ 190.07867 141.4
[M-H]- 166.08217 138.5
[M+NH4]+ 185.12327 155.4
[M+K]+ 206.05261 133.6
[M+H-H2O]+ 150.08671 131.7
[M+HCOO]- 212.08765 152.2
[M+CH3COO]- 226.10330 172.9
[M+Na-2H]- 188.06412 139.7
[M]+ 167.08890 134.9
[M]- 167.09000 134.9
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