CID 20119700

4-(pyrrolidin-2-yl)phenol hydrobromide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC(NC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H13NO/c12-9-5-3-8(4-6-9)10-2-1-7-11-10/h3-6,10-12H,1-2,7H2

InChIKey

NIVJZQZGIBLJNB-UHFFFAOYSA-N

Compound name

4-pyrrolidin-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 163.09972 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]+	164.106996	135.0
[M+Na]+	186.088938	141.3
[M-H]-	162.092444	137.4
[M+NH4]+	181.133543	154.5
[M+K]+	202.062878	137.6
[M+H-H2O]+	146.096980	128.5
[M+HCOO]-	208.097921	154.5
[M+CH3COO]-	222.113571	147.2
[M+Na-2H]-	184.074386	139.0
[M]+	163.09917142	129.2
[M]-	163.10026858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe