CID 41233

3-(2-methyl-1,3-dithiolan-2-yl)-1h-indole

Structural Information

Molecular Formula
C12H13NS2
SMILES
CC1(SCCS1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C12H13NS2/c1-12(14-6-7-15-12)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3
InChIKey
TVPVFCFPZXJBGP-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,3-dithiolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04893 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05621 146.7
[M+Na]+ 258.03815 158.6
[M+NH4]+ 253.08275 159.0
[M+K]+ 274.01209 148.9
[M-H]- 234.04165 150.9
[M+Na-2H]- 256.02360 154.3
[M]+ 235.04838 150.8
[M]- 235.04948 150.8
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

No patent data available for this compound.