CID 39131

42062-39-5

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CN1C=C(C2=CC=CC=C21)C(CN(C)C)O

InChI

InChI=1S/C13H18N2O/c1-14(2)9-13(16)11-8-15(3)12-7-5-4-6-10(11)12/h4-8,13,16H,9H2,1-3H3

InChIKey

USFMLOCAUMOVRI-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1-(1-methylindol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.1419 Da
Monoisotopic Mass: 1.2
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]+	219.149176	149.8
[M+Na]+	241.131118	158.2
[M-H]-	217.134624	153.7
[M+NH4]+	236.175723	170.0
[M+K]+	257.105058	155.9
[M+H-H2O]+	201.139160	143.1
[M+HCOO]-	263.140101	173.1
[M+CH3COO]-	277.155751	194.0
[M+Na-2H]-	239.116566	154.1
[M]+	218.14135142	152.9
[M]-	218.14244858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe