CID 3068888

1'-methylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidine)

Structural Information

Molecular Formula
C12H15NS
SMILES
CN1CCCC12C3=CC=CC=C3CS2
InChI
InChI=1S/C12H15NS/c1-13-8-4-7-12(13)11-6-3-2-5-10(11)9-14-12/h2-3,5-6H,4,7-9H2,1H3
InChIKey
HNHKQLDCQSSSLY-UHFFFAOYSA-N
Compound name
1'-methylspiro[1H-2-benzothiophene-3,2'-pyrrolidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.099786 146.0
[M+Na]+ 228.081728 155.4
[M-H]- 204.085234 151.8
[M+NH4]+ 223.126333 171.6
[M+K]+ 244.055668 151.9
[M+H-H2O]+ 188.089770 140.8
[M+HCOO]- 250.090711 162.3
[M+CH3COO]- 264.106361 159.5
[M+Na-2H]- 226.067176 147.7
[M]+ 205.09196142 145.5
[M]- 205.09305858 145.5
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.