CID 23091100

6-bromo-1-methyl-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

CN1CCCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H12BrN/c1-12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3

InChIKey

NKEKGQRGDBWFBU-UHFFFAOYSA-N

Compound name

6-bromo-1-methyl-3,4-dihydro-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 225.0153 Da
Monoisotopic Mass: 3.1
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]+	226.022576	141.6
[M+Na]+	248.004518	152.9
[M-H]-	224.008024	147.3
[M+NH4]+	243.049123	163.5
[M+K]+	263.978458	141.9
[M+H-H2O]+	208.012560	141.7
[M+HCOO]-	270.013501	159.4
[M+CH3COO]-	284.029151	156.3
[M+Na-2H]-	245.989966	150.0
[M]+	225.01475142	157.9
[M]-	225.01584858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe