CID 71758141

6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

CC1=CC(=CC2=C1CNCC2)Br

InChI

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

InChIKey

CISXTPCBPUYQGO-UHFFFAOYSA-N

Compound name

6-bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 225.0153 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]+	226.022576	142.6
[M+Na]+	248.004518	153.4
[M-H]-	224.008024	146.9
[M+NH4]+	243.049123	163.8
[M+K]+	263.978458	141.4
[M+H-H2O]+	208.012560	142.8
[M+HCOO]-	270.013501	158.8
[M+CH3COO]-	284.029151	156.6
[M+Na-2H]-	245.989966	150.4
[M]+	225.01475142	157.1
[M]-	225.01584858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe