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 148.4
[M+Na]+ 242.09739 156.9
[M-H]- 218.10089 153.4
[M+NH4]+ 237.14199 170.5
[M+K]+ 258.07133 152.8
[M+H-H2O]+ 202.10543 142.7
[M+HCOO]- 264.10637 168.6
[M+CH3COO]- 278.12202 191.1
[M+Na-2H]- 240.08284 151.7
[M]+ 219.10762 152.3
[M]- 219.10872 152.3
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.