CID 16793316

2241130-39-0

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

CC1=CC(=CC2=C1NCCC2)Br

InChI

InChI=1S/C10H12BrN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h5-6,12H,2-4H2,1H3

InChIKey

QEPGOKGCHKDWBT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 225.0153 Da
Monoisotopic Mass: 3.4
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]+	226.02258	141.0
[M+Na]+	248.00452	145.2
[M+NH4]+	243.04912	147.1
[M+K]+	263.97846	143.9
[M-H]-	224.00802	142.3
[M+Na-2H]-	245.98997	144.4
[M]+	225.01475	140.8
[M]-	225.01585	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe