CID 117664

3-(pyrrolidin-1-yl)phenol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CCN(C1)C2=CC(=CC=C2)O

InChI

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

InChIKey

BMTDPXOFINIBGC-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 234
Patents: 163.09972 Da
Monoisotopic Mass: 3.2
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]+	164.10700	134.4
[M+Na]+	186.08894	141.1
[M-H]-	162.09244	138.2
[M+NH4]+	181.13354	154.7
[M+K]+	202.06288	138.4
[M+H-H2O]+	146.09698	127.7
[M+HCOO]-	208.09792	155.5
[M+CH3COO]-	222.11357	173.7
[M+Na-2H]-	184.07439	138.9
[M]+	163.09917	130.4
[M]-	163.10027	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe