CID 3056246

73604-77-0

Structural Information

Molecular Formula
C16H19NS
SMILES
CC1(CCN(C1)CC2=CC=CC=C2)C3=CC=CS3
InChI
InChI=1S/C16H19NS/c1-16(15-8-5-11-18-15)9-10-17(13-16)12-14-6-3-2-4-7-14/h2-8,11H,9-10,12-13H2,1H3
InChIKey
PIFDXHRGIAGEBA-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-3-thiophen-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1238 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13108 159.6
[M+Na]+ 280.11302 172.0
[M+NH4]+ 275.15762 171.3
[M+K]+ 296.08696 163.2
[M-H]- 256.11652 165.6
[M+Na-2H]- 278.09847 169.5
[M]+ 257.12325 163.8
[M]- 257.12435 163.8
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.