CID 3068884

5-methoxy-1'-methylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C13H15NO2S
SMILES
CN1CCCC12C3=C(C=C(C=C3)OC)C(=S)O2
InChI
InChI=1S/C13H15NO2S/c1-14-7-3-6-13(14)11-5-4-9(15-2)8-10(11)12(17)16-13/h4-5,8H,3,6-7H2,1-2H3
InChIKey
CZOXCYJCZHVLOV-UHFFFAOYSA-N
Compound name
6-methoxy-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.08235 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08963 154.2
[M+Na]+ 272.07157 165.0
[M-H]- 248.07507 161.1
[M+NH4]+ 267.11617 177.3
[M+K]+ 288.04551 162.6
[M+H-H2O]+ 232.07961 150.1
[M+HCOO]- 294.08055 169.9
[M+CH3COO]- 308.09620 167.9
[M+Na-2H]- 270.05702 155.5
[M]+ 249.08180 157.6
[M]- 249.08290 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.