CID 24229604

3-[3-(dimethylamino)propoxy]benzyl alcohol

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CN(C)CCCOC1=CC=CC(=C1)CO

InChI

InChI=1S/C12H19NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3

InChIKey

BABQTNDHVRVEJD-UHFFFAOYSA-N

Compound name

[3-[3-(dimethylamino)propoxy]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 209.14159 Da
Monoisotopic Mass: 1.9
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]+	210.148866	148.5
[M+Na]+	232.130808	154.3
[M-H]-	208.134314	151.8
[M+NH4]+	227.175413	167.2
[M+K]+	248.104748	153.1
[M+H-H2O]+	192.138850	141.8
[M+HCOO]-	254.139791	172.5
[M+CH3COO]-	268.155441	191.2
[M+Na-2H]-	230.116256	153.3
[M]+	209.14104142	151.3
[M]-	209.14213858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe