CID 23868

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

Structural Information

Molecular Formula
C12H13NOS
SMILES
CN(C)CC(=O)C1=CSC2=CC=CC=C21
InChI
InChI=1S/C12H13NOS/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKey
IVUMLYOAMPFAEV-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-2-(dimethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 146.9
[M+Na]+ 242.06102 159.0
[M+NH4]+ 237.10562 156.7
[M+K]+ 258.03496 152.0
[M-H]- 218.06452 150.4
[M+Na-2H]- 240.04647 153.4
[M]+ 219.07125 150.1
[M]- 219.07235 150.1
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.