CID 71304015

1203683-64-0

Structural Information

Molecular Formula

C₁₁H₁₂BrN

SMILES

C1CC12CNCC3=C2C=CC(=C3)Br

InChI

InChI=1S/C11H12BrN/c12-9-1-2-10-8(5-9)6-13-7-11(10)3-4-11/h1-2,5,13H,3-4,6-7H2

InChIKey

GNMLQBNEROBNLK-UHFFFAOYSA-N

Compound name

7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 237.0153 Da
Monoisotopic Mass: 2.3
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]+	238.022576	149.6
[M+Na]+	260.004518	162.4
[M-H]-	236.008024	156.7
[M+NH4]+	255.049123	167.7
[M+K]+	275.978458	150.6
[M+H-H2O]+	220.012560	149.7
[M+HCOO]-	282.013501	165.8
[M+CH3COO]-	296.029151	163.2
[M+Na-2H]-	257.989966	158.7
[M]+	237.01475142	165.5
[M]-	237.01584858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe