CID 10059566

167355-41-1

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC2=C(CC1N)C=CC(=C2)Br

InChI

InChI=1S/C10H12BrN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2

InChIKey

WMALPFDUOAVVMB-UHFFFAOYSA-N

Compound name

6-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 225.0153 Da
Monoisotopic Mass: 2.8
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	142.7
[M+Na]+	248.004518	153.0
[M-H]-	224.008024	149.1
[M+NH4]+	243.049123	165.1
[M+K]+	263.978458	141.3
[M+H-H2O]+	208.012560	142.8
[M+HCOO]-	270.013501	161.8
[M+CH3COO]-	284.029151	157.1
[M+Na-2H]-	245.989966	150.1
[M]+	225.01475142	156.7
[M]-	225.01584858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe