CID 339554

2-(thiophen-2-yl)pyrrolidine

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC(NC1)C2=CC=CS2
InChI
InChI=1S/C8H11NS/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
InChIKey
BNUVOMNEUJWHCF-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

153.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06850 132.5
[M+Na]+ 176.05044 140.2
[M-H]- 152.05394 136.9
[M+NH4]+ 171.09504 155.7
[M+K]+ 192.02438 137.6
[M+H-H2O]+ 136.05848 126.9
[M+HCOO]- 198.05942 150.0
[M+CH3COO]- 212.07507 145.9
[M+Na-2H]- 174.03589 132.7
[M]+ 153.06067 129.7
[M]- 153.06177 129.7
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