CID 3390824

95198-68-8

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

C1CN(CC1CCO)CC2=CC=CC=C2

InChI

InChI=1S/C13H19NO/c15-9-7-13-6-8-14(11-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2

InChIKey

KVOKJZAQCLKPGS-UHFFFAOYSA-N

Compound name

2-(1-benzylpyrrolidin-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 205.14667 Da
Monoisotopic Mass: 1.8
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]+	206.153946	148.2
[M+Na]+	228.135888	153.5
[M-H]-	204.139394	151.4
[M+NH4]+	223.180493	166.7
[M+K]+	244.109828	150.0
[M+H-H2O]+	188.143930	140.8
[M+HCOO]-	250.144871	168.2
[M+CH3COO]-	264.160521	182.8
[M+Na-2H]-	226.121336	151.0
[M]+	205.14612142	145.2
[M]-	205.14721858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe