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

9
Patents

205.09251 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09979 143.8
[M+Na]+ 228.08173 152.8
[M-H]- 204.08523 149.0
[M+NH4]+ 223.12633 166.5
[M+K]+ 244.05567 148.9
[M+H-H2O]+ 188.08977 138.3
[M+HCOO]- 250.09071 164.3
[M+CH3COO]- 264.10636 188.1
[M+Na-2H]- 226.06718 147.6
[M]+ 205.09196 147.4
[M]- 205.09306 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