CID 64157000

5-phenylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C(CNC1C2=CC=CC=C2)O

InChI

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

InChIKey

MDJWIDATPRVAQE-UHFFFAOYSA-N

Compound name

5-phenylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 163.09972 Da
Monoisotopic Mass: 0.8
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

No literature data available for this compound.

Patent stripe

patents stripe