CID 21217

Nsc 9085

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

CCN1C=C(C2=CC=CC=C21)C(CN(C)C)O

InChI

InChI=1S/C14H20N2O/c1-4-16-9-12(14(17)10-15(2)3)11-7-5-6-8-13(11)16/h5-9,14,17H,4,10H2,1-3H3

InChIKey

STKHFYZBZLFYSR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.15756 Da
Monoisotopic Mass: 1.5
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]+	233.16484	154.6
[M+Na]+	255.14678	162.5
[M-H]-	231.15028	158.2
[M+NH4]+	250.19138	174.2
[M+K]+	271.12072	159.9
[M+H-H2O]+	215.15482	147.6
[M+HCOO]-	277.15576	177.5
[M+CH3COO]-	291.17141	197.0
[M+Na-2H]-	253.13223	158.3
[M]+	232.15701	158.0
[M]-	232.15811	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe