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]+ 211.09966 144.1
[M+Na]+ 233.08160 157.7
[M+NH4]+ 228.12620 154.1
[M+K]+ 249.05554 149.4
[M-H]- 209.08510 147.7
[M+Na-2H]- 231.06705 150.6
[M]+ 210.09183 147.4
[M]- 210.09293 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

No patent data available for this compound.