CID 66545628

N-(3-bromophenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CNCC1NC2=CC(=CC=C2)Br

InChI

InChI=1S/C10H13BrN2/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12-13H,4-5,7H2

InChIKey

XIWRQCZKFYOREP-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)pyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 240.02621 Da
Monoisotopic Mass: 2.4
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]+	241.03349	147.8
[M+Na]+	263.01543	156.9
[M-H]-	239.01893	154.0
[M+NH4]+	258.06003	168.2
[M+K]+	278.98937	144.8
[M+H-H2O]+	223.02347	146.7
[M+HCOO]-	285.02441	167.3
[M+CH3COO]-	299.04006	161.3
[M+Na-2H]-	261.00088	153.5
[M]+	240.02566	160.7
[M]-	240.02676	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe