CID 12937992

3-(pyrrolidin-3-yl)phenol hydrobromide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CNCC1C2=CC(=CC=C2)O

InChI

InChI=1S/C10H13NO/c12-10-3-1-2-8(6-10)9-4-5-11-7-9/h1-3,6,9,11-12H,4-5,7H2

InChIKey

BSVULIRVFCFZPE-UHFFFAOYSA-N

Compound name

3-pyrrolidin-3-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 163.09972 Da
Monoisotopic Mass: 1.3
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]+	164.10700	135.0
[M+Na]+	186.08894	141.3
[M-H]-	162.09244	137.4
[M+NH4]+	181.13354	154.5
[M+K]+	202.06288	137.6
[M+H-H2O]+	146.09698	128.5
[M+HCOO]-	208.09792	154.5
[M+CH3COO]-	222.11357	147.2
[M+Na-2H]-	184.07439	139.0
[M]+	163.09917	129.2
[M]-	163.10027	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe