CID 57019962

3-benzylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CNCC1(CC2=CC=CC=C2)O

InChI

InChI=1S/C11H15NO/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

InChIKey

GPUVEPPJCNADBH-UHFFFAOYSA-N

Compound name

3-benzylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 177.11537 Da
Monoisotopic Mass: 1.1
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]+	178.12265	140.0
[M+Na]+	200.10459	145.9
[M-H]-	176.10809	142.3
[M+NH4]+	195.14919	160.7
[M+K]+	216.07853	142.2
[M+H-H2O]+	160.11263	133.7
[M+HCOO]-	222.11357	159.3
[M+CH3COO]-	236.12922	151.9
[M+Na-2H]-	198.09004	145.2
[M]+	177.11482	134.5
[M]-	177.11592	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe