CID 10823932

135631-91-3

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

CC1(CCNC2=C1C=C(C=C2)Br)C

InChI

InChI=1S/C11H14BrN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3

InChIKey

WBOOAXJWGJAIMB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 239.03096 Da
Monoisotopic Mass: 3.9
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]+	240.03824	146.4
[M+Na]+	262.02018	150.4
[M+NH4]+	257.06478	153.6
[M+K]+	277.99412	147.5
[M-H]-	238.02368	147.6
[M+Na-2H]-	260.00563	150.8
[M]+	239.03041	146.4
[M]-	239.03151	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe