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 145.7
[M+Na]+ 233.08160 153.4
[M-H]- 209.08510 147.6
[M+NH4]+ 228.12620 164.8
[M+K]+ 249.05554 148.2
[M+H-H2O]+ 193.08964 139.4
[M+HCOO]- 255.09058 161.0
[M+CH3COO]- 269.10623 188.3
[M+Na-2H]- 231.06705 151.4
[M]+ 210.09183 143.7
[M]- 210.09293 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.