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 155.8
[M+Na]+ 270.09231 165.5
[M-H]- 246.09581 162.2
[M+NH4]+ 265.13691 178.7
[M+K]+ 286.06625 162.4
[M+H-H2O]+ 230.10035 151.1
[M+HCOO]- 292.10129 171.0
[M+CH3COO]- 306.11694 168.9
[M+Na-2H]- 268.07776 156.8
[M]+ 247.10254 157.6
[M]- 247.10364 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.