CID 23797

7349-49-7

Structural Information

Molecular Formula
C14H15NOS
SMILES
C1CCN(C1)CC(=O)C2=CSC3=CC=CC=C32
InChI
InChI=1S/C14H15NOS/c16-13(9-15-7-3-4-8-15)12-10-17-14-6-2-1-5-11(12)14/h1-2,5-6,10H,3-4,7-9H2
InChIKey
QTGBMQUIQIFLOB-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.08743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.094706 156.2
[M+Na]+ 268.076648 165.0
[M-H]- 244.080154 163.2
[M+NH4]+ 263.121253 177.6
[M+K]+ 284.050588 161.1
[M+H-H2O]+ 228.084690 150.2
[M+HCOO]- 290.085631 174.0
[M+CH3COO]- 304.101281 169.1
[M+Na-2H]- 266.062096 156.0
[M]+ 245.08688142 158.2
[M]- 245.08797858 158.2
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.