CID 3988672

2-(thiophen-3-yl)pyrrolidine

Structural Information

Molecular Formula
C8H11NS
SMILES
C1CC(NC1)C2=CSC=C2
InChI
InChI=1S/C8H11NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2
InChIKey
XXZBVULUYZUNDS-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe