CID 72212587

1196156-49-6

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2CN

InChI

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-7-13-11(9-16)5-4-6-12(13)10-17/h4-6H,7-10,16H2,1-3H3

InChIKey

RGIPNUSHCFRGNF-UHFFFAOYSA-N

Compound name

tert-butyl 5-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 262.16812 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	263.175396	163.7
[M+Na]+	285.157338	169.5
[M-H]-	261.160844	165.8
[M+NH4]+	280.201943	180.0
[M+K]+	301.131278	166.8
[M+H-H2O]+	245.165380	156.7
[M+HCOO]-	307.166321	180.4
[M+CH3COO]-	321.181971	199.2
[M+Na-2H]-	283.142786	167.6
[M]+	262.16757142	162.1
[M]-	262.16866858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe