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 148.6
[M+Na]+ 258.03815 159.9
[M-H]- 234.04165 154.5
[M+NH4]+ 253.08275 172.4
[M+K]+ 274.01209 154.6
[M+H-H2O]+ 218.04619 144.5
[M+HCOO]- 280.04713 161.2
[M+CH3COO]- 294.06278 161.8
[M+Na-2H]- 256.02360 149.9
[M]+ 235.04838 150.1
[M]- 235.04948 150.1
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.