CID 165889699

[1-(1-benzothiophen-5-yl)propan-2-yl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C12H15NS
SMILES
CC(CC1=CC2=C(C=C1)SC=C2)NC
InChI
InChI=1S/C12H15NS/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-6,8-9,13H,7H2,1-2H3
InChIKey
SKSFWFUEBKJIAJ-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-5-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

205.09251 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.099786 143.8
[M+Na]+ 228.081728 152.8
[M-H]- 204.085234 149.0
[M+NH4]+ 223.126333 166.5
[M+K]+ 244.055668 148.9
[M+H-H2O]+ 188.089770 138.3
[M+HCOO]- 250.090711 164.3
[M+CH3COO]- 264.106361 188.1
[M+Na-2H]- 226.067176 147.6
[M]+ 205.09196142 147.4
[M]- 205.09305858 147.4
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

patents stripe