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: 5
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]+	206.15395	149.1
[M+Na]+	228.13589	160.6
[M+NH4]+	223.18049	157.8
[M+K]+	244.10983	155.0
[M-H]-	204.13939	152.1
[M+Na-2H]-	226.12134	155.6
[M]+	205.14612	151.5
[M]-	205.14722	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe