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]+ 248.110366 155.8
[M+Na]+ 270.092308 165.5
[M-H]- 246.095814 162.2
[M+NH4]+ 265.136913 178.7
[M+K]+ 286.066248 162.4
[M+H-H2O]+ 230.100350 151.1
[M+HCOO]- 292.101291 171.0
[M+CH3COO]- 306.116941 168.9
[M+Na-2H]- 268.077756 156.8
[M]+ 247.10254142 157.6
[M]- 247.10363858 157.6
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.