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]+ 206.09979 146.0
[M+Na]+ 228.08173 155.4
[M-H]- 204.08523 151.8
[M+NH4]+ 223.12633 171.6
[M+K]+ 244.05567 151.9
[M+H-H2O]+ 188.08977 140.8
[M+HCOO]- 250.09071 162.3
[M+CH3COO]- 264.10636 159.5
[M+Na-2H]- 226.06718 147.7
[M]+ 205.09196 145.5
[M]- 205.09306 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.