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]+ 292.11882 170.2
[M+Na]+ 314.10076 177.6
[M-H]- 290.10426 178.2
[M+NH4]+ 309.14536 190.1
[M+K]+ 330.07470 173.5
[M+H-H2O]+ 274.10880 164.9
[M+HCOO]- 336.10974 182.0
[M+CH3COO]- 350.12539 181.4
[M+Na-2H]- 312.08621 163.4
[M]+ 291.11099 171.0
[M]- 291.11209 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.