CID 129973924

1824468-65-6

Structural Information

Molecular Formula

C₁₄H₁₉BrN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(C2=C1C=CC(=C2)Br)N

InChI

InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-7-6-11(16)10-8-9(15)4-5-12(10)17/h4-5,8,11H,6-7,16H2,1-3H3

InChIKey

DFNQXMOSEUPBIY-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.063 Da
Monoisotopic Mass: 2.4
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]+	327.070276	170.2
[M+Na]+	349.052218	179.9
[M-H]-	325.055724	175.2
[M+NH4]+	344.096823	187.7
[M+K]+	365.026158	168.6
[M+H-H2O]+	309.060260	169.2
[M+HCOO]-	371.061201	184.8
[M+CH3COO]-	385.076851	206.3
[M+Na-2H]-	347.037666	174.6
[M]+	326.06245142	187.1
[M]-	326.06354858	187.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.