CID 81696548

1803581-78-3

Structural Information

Molecular Formula

C₁₁H₁₂BrN

SMILES

C1CC2(CC2N)C3=C1C=C(C=C3)Br

InChI

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

InChIKey

HPLZQVPAYLSJEZ-UHFFFAOYSA-N

Compound name

6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	146.6
[M+Na]+	260.004518	160.9
[M-H]-	236.008024	156.4
[M+NH4]+	255.049123	168.0
[M+K]+	275.978458	148.7
[M+H-H2O]+	220.012560	147.5
[M+HCOO]-	282.013501	167.4
[M+CH3COO]-	296.029151	161.8
[M+Na-2H]-	257.989966	153.9
[M]+	237.01475142	164.5
[M]-	237.01584858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe