CID 22626874

1203684-66-5

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

CC1(CNCC2=C1C=CC(=C2)Br)C

InChI

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

InChIKey

NOMMPPJSKTYNEA-UHFFFAOYSA-N

Compound name

7-bromo-4,4-dimethyl-2,3-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 239.03096 Da
Monoisotopic Mass: 2.9
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