CID 3068880

1'-propylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C14H17NOS
SMILES
CCCN1CCCC12C3=CC=CC=C3C(=S)O2
InChI
InChI=1S/C14H17NOS/c1-2-9-15-10-5-8-14(15)12-7-4-3-6-11(12)13(17)16-14/h3-4,6-7H,2,5,8-10H2,1H3
InChIKey
HVMQTUNVYRVVRF-UHFFFAOYSA-N
Compound name
1'-propylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10309 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11037 156.1
[M+Na]+ 270.09231 167.4
[M+NH4]+ 265.13691 167.4
[M+K]+ 286.06625 159.8
[M-H]- 246.09581 160.3
[M+Na-2H]- 268.07776 160.9
[M]+ 247.10254 159.6
[M]- 247.10364 159.6
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.