CID 69144198

5-(4-bromophenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

C1C(CNC1C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10-5-9(13)6-12-10/h1-4,9-10,12-13H,5-6H2

InChIKey

ZSCYVRUHGGJQFC-UHFFFAOYSA-N

Compound name

5-(4-bromophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 241.01022 Da
Monoisotopic Mass: 1.5
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]+	242.017496	148.5
[M+Na]+	263.999438	158.8
[M-H]-	240.002944	153.8
[M+NH4]+	259.044043	168.8
[M+K]+	279.973378	146.6
[M+H-H2O]+	224.007480	148.4
[M+HCOO]-	286.008421	165.8
[M+CH3COO]-	300.024071	162.1
[M+Na-2H]-	261.984886	152.7
[M]+	241.00967142	162.0
[M]-	241.01076858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe