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 149.6
[M+Na]+ 256.07665 158.6
[M-H]- 232.08015 155.5
[M+NH4]+ 251.12125 171.0
[M+K]+ 272.05059 155.5
[M+H-H2O]+ 216.08469 143.9
[M+HCOO]- 278.08563 162.7
[M+CH3COO]- 292.10128 162.2
[M+Na-2H]- 254.06210 152.9
[M]+ 233.08688 148.6
[M]- 233.08798 148.6
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.