CID 3056673

73825-72-6

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CN(C)CC1CCCC1(C2=CC(=CC=C2)O)O

InChI

InChI=1S/C14H21NO2/c1-15(2)10-12-6-4-8-14(12,17)11-5-3-7-13(16)9-11/h3,5,7,9,12,16-17H,4,6,8,10H2,1-2H3

InChIKey

KCVRJLXWZONQEK-UHFFFAOYSA-N

Compound name

3-[2-[(dimethylamino)methyl]-1-hydroxycyclopentyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.15723 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]+	236.164506	154.6
[M+Na]+	258.146448	160.3
[M-H]-	234.149954	160.0
[M+NH4]+	253.191053	175.2
[M+K]+	274.120388	157.8
[M+H-H2O]+	218.154490	148.8
[M+HCOO]-	280.155431	175.9
[M+CH3COO]-	294.171081	191.7
[M+Na-2H]-	256.131896	156.9
[M]+	235.15668142	152.4
[M]-	235.15777858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.