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

19
Patents

153.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 132.5
[M+Na]+ 176.050438 140.2
[M-H]- 152.053944 136.9
[M+NH4]+ 171.095043 155.7
[M+K]+ 192.024378 137.6
[M+H-H2O]+ 136.058480 126.9
[M+HCOO]- 198.059421 150.0
[M+CH3COO]- 212.075071 145.9
[M+Na-2H]- 174.035886 132.7
[M]+ 153.06067142 129.7
[M]- 153.06176858 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