CID 42605

N-(alpha-propargyloxyethyl)indole

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC(N1C=CC2=CC=CC=C21)OCC#C

InChI

InChI=1S/C13H13NO/c1-3-10-15-11(2)14-9-8-12-6-4-5-7-13(12)14/h1,4-9,11H,10H2,2H3

InChIKey

NEJYXXUKKLLKNF-UHFFFAOYSA-N

Compound name

1-(1-prop-2-ynoxyethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.09972 Da
Monoisotopic Mass: 2.4
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]+	200.10700	144.6
[M+Na]+	222.08894	157.8
[M+NH4]+	217.13354	149.9
[M+K]+	238.06288	149.0
[M-H]-	198.09244	138.5
[M+Na-2H]-	220.07439	148.2
[M]+	199.09917	144.0
[M]-	199.10027	144.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.