CID 23797

Benzo(b)thien-3-yl pyrrolidinomethyl ketone hydrochloride

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

0
Patents

245.08743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09471 156.2
[M+Na]+ 268.07665 165.0
[M-H]- 244.08015 163.2
[M+NH4]+ 263.12125 177.6
[M+K]+ 284.05059 161.1
[M+H-H2O]+ 228.08469 150.2
[M+HCOO]- 290.08563 174.0
[M+CH3COO]- 304.10128 169.1
[M+Na-2H]- 266.06210 156.0
[M]+ 245.08688 158.2
[M]- 245.08798 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.