CID 165907743

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

Structural Information

Molecular Formula
C13H17NS
SMILES
CCN[C@H](C)CC1=CC2=C(C=C1)SC=C2
InChI
InChI=1S/C13H17NS/c1-3-14-10(2)8-11-4-5-13-12(9-11)6-7-15-13/h4-7,9-10,14H,3,8H2,1-2H3/t10-/m1/s1
InChIKey
WZKBCEMRPGIAPA-SNVBAGLBSA-N
Compound name
(2R)-1-(1-benzothiophen-5-yl)-N-ethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10817 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11545 148.2
[M+Na]+ 242.09739 160.4
[M+NH4]+ 237.14199 158.6
[M+K]+ 258.07133 152.3
[M-H]- 218.10089 152.2
[M+Na-2H]- 240.08284 154.8
[M]+ 219.10762 151.6
[M]- 219.10872 151.6
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.