CID 31575

Indole, 1-(1-propoxyethyl)-

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CCCOCCN1C=CC2=CC=CC=C21

InChI

InChI=1S/C13H17NO/c1-2-10-15-11-9-14-8-7-12-5-3-4-6-13(12)14/h3-8H,2,9-11H2,1H3

InChIKey

GKYJUFKQRPIUPN-UHFFFAOYSA-N

Compound name

1-(2-propoxyethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.13101 Da
Monoisotopic Mass: 3.4
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]+	204.138286	145.2
[M+Na]+	226.120228	154.3
[M-H]-	202.123734	148.5
[M+NH4]+	221.164833	166.2
[M+K]+	242.094168	150.9
[M+H-H2O]+	186.128270	138.4
[M+HCOO]-	248.129211	169.5
[M+CH3COO]-	262.144861	186.3
[M+Na-2H]-	224.105676	152.1
[M]+	203.13046142	149.8
[M]-	203.13155858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe