CID 59158899

536742-64-0

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

C1CN(CC1O)C2=CC=C(C=C2)Br

InChI

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

InChIKey

VXAGQCJOIGKVLU-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 241.01022 Da
Monoisotopic Mass: 2.2
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	147.6
[M+Na]+	263.999438	158.4
[M-H]-	240.002944	154.3
[M+NH4]+	259.044043	168.7
[M+K]+	279.973378	147.2
[M+H-H2O]+	224.007480	147.4
[M+HCOO]-	286.008421	166.4
[M+CH3COO]-	300.024071	185.2
[M+Na-2H]-	261.984886	152.3
[M]+	241.00967142	162.9
[M]-	241.01076858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe