CID 126838362

2060025-52-5

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

C1C2C(C2N)C3=C1C(=CC=C3)Br

InChI

InChI=1S/C10H10BrN/c11-8-3-1-2-5-6(8)4-7-9(5)10(7)12/h1-3,7,9-10H,4,12H2

InChIKey

VFRUKJZCIJIQFD-UHFFFAOYSA-N

Compound name

5-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.99966 Da
Monoisotopic Mass: 1.9
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]+	224.006936	142.9
[M+Na]+	245.988878	158.0
[M-H]-	221.992384	151.6
[M+NH4]+	241.033483	163.8
[M+K]+	261.962818	145.0
[M+H-H2O]+	205.996920	143.4
[M+HCOO]-	267.997861	163.9
[M+CH3COO]-	282.013511	158.4
[M+Na-2H]-	243.974326	150.0
[M]+	222.99911142	161.9
[M]-	223.00020858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.