CID 82599562

2408969-63-9

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CNCC1CC2=CC=C(C=C2)O

InChI

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

InChIKey

HJVAWNMBDYMFRD-UHFFFAOYSA-N

Compound name

4-(pyrrolidin-3-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.11537 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]+	178.12265	140.5
[M+Na]+	200.10459	151.8
[M+NH4]+	195.14919	149.2
[M+K]+	216.07853	147.0
[M-H]-	176.10809	143.0
[M+Na-2H]-	198.09004	146.9
[M]+	177.11482	142.6
[M]-	177.11592	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.