CID 75355381

2-(5-chloro-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H15ClN2
SMILES
C1CN(CC2=C1C(=CC=C2)Cl)CCN
InChI
InChI=1S/C11H15ClN2/c12-11-3-1-2-9-8-14(7-5-13)6-4-10(9)11/h1-3H,4-8,13H2
InChIKey
JDUOJYXTUJNICO-UHFFFAOYSA-N
Compound name
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09238 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.099656 145.7
[M+Na]+ 233.081598 153.4
[M-H]- 209.085104 147.6
[M+NH4]+ 228.126203 164.8
[M+K]+ 249.055538 148.2
[M+H-H2O]+ 193.089640 139.4
[M+HCOO]- 255.090581 161.0
[M+CH3COO]- 269.106231 188.3
[M+Na-2H]- 231.067046 151.4
[M]+ 210.09183142 143.7
[M]- 210.09292858 143.7
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.