CID 113830

1-(1-methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C16H21NS2
SMILES
CC(CC(C1=CC=CS1)C2=CC=CS2)C3CCCN3
InChI
InChI=1S/C16H21NS2/c1-12(14-5-2-8-17-14)11-13(15-6-3-9-18-15)16-7-4-10-19-16/h3-4,6-7,9-10,12-14,17H,2,5,8,11H2,1H3
InChIKey
FTCROGQOAMMJPC-UHFFFAOYSA-N
Compound name
2-(4,4-dithiophen-2-ylbutan-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11154 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.118816 170.2
[M+Na]+ 314.100758 177.6
[M-H]- 290.104264 178.2
[M+NH4]+ 309.145363 190.1
[M+K]+ 330.074698 173.5
[M+H-H2O]+ 274.108800 164.9
[M+HCOO]- 336.109741 182.0
[M+CH3COO]- 350.125391 181.4
[M+Na-2H]- 312.086206 163.4
[M]+ 291.11099142 171.0
[M]- 291.11208858 171.0
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.