CID 38773

2-methyl-2-(p-tolyl)-1,3-dithiolane

Structural Information

Molecular Formula
C11H14S2
SMILES
CC1=CC=C(C=C1)C2(SCCS2)C
InChI
InChI=1S/C11H14S2/c1-9-3-5-10(6-4-9)11(2)12-7-8-13-11/h3-6H,7-8H2,1-2H3
InChIKey
NGKHBJGPSIJYFU-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylphenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

210.0537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06098 142.8
[M+Na]+ 233.04292 151.5
[M-H]- 209.04642 149.6
[M+NH4]+ 228.08752 166.3
[M+K]+ 249.01686 147.5
[M+H-H2O]+ 193.05096 138.1
[M+HCOO]- 255.05190 155.6
[M+CH3COO]- 269.06755 156.0
[M+Na-2H]- 231.02837 143.4
[M]+ 210.05315 143.2
[M]- 210.05425 143.2
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