CID 60861449

1-(3-bromophenyl)pyrrolidin-3-amine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CN(CC1N)C2=CC(=CC=C2)Br

InChI

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

InChIKey

ZSMIAVSFNGTAEH-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)pyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 240.02621 Da
Monoisotopic Mass: 2.0
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]+	241.033486	148.0
[M+Na]+	263.015428	158.4
[M-H]-	239.018934	155.4
[M+NH4]+	258.060033	169.2
[M+K]+	278.989368	146.8
[M+H-H2O]+	223.023470	146.9
[M+HCOO]-	285.024411	168.3
[M+CH3COO]-	299.040061	162.3
[M+Na-2H]-	261.000876	152.5
[M]+	240.02566142	162.1
[M]-	240.02675858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe