CID 3068878

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

Structural Information

Molecular Formula
C12H13NOS
SMILES
CN1CCCC12C3=CC=CC=C3C(=S)O2
InChI
InChI=1S/C12H13NOS/c1-13-8-4-7-12(13)10-6-3-2-5-9(10)11(15)14-12/h2-3,5-6H,4,7-8H2,1H3
InChIKey
XRMFQXXPQFUPQI-UHFFFAOYSA-N
Compound name
1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 147.4
[M+Na]+ 242.06102 159.0
[M+NH4]+ 237.10562 159.0
[M+K]+ 258.03496 152.0
[M-H]- 218.06452 151.7
[M+Na-2H]- 240.04647 152.7
[M]+ 219.07125 150.9
[M]- 219.07235 150.9
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.