CID 3068879

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

Structural Information

Molecular Formula
C13H15NOS
SMILES
CN1CCCCC12C3=CC=CC=C3C(=S)O2
InChI
InChI=1S/C13H15NOS/c1-14-9-5-4-8-13(14)11-7-3-2-6-10(11)12(16)15-13/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey
BLEJIMHBCZBYRU-UHFFFAOYSA-N
Compound name
1'-methylspiro[2-benzofuran-3,2'-piperidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09471 151.0
[M+Na]+ 256.07665 163.6
[M+NH4]+ 251.12125 162.7
[M+K]+ 272.05059 154.1
[M-H]- 232.08015 156.0
[M+Na-2H]- 254.06210 157.1
[M]+ 233.08688 154.9
[M]- 233.08798 154.9
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.