CID 13310812

Refchem:490633

Structural Information

Molecular Formula

C₁₁H₁₅N₃O

SMILES

COC1=C2C(=C(C=C1)N)C(=CN2)CCN

InChI

InChI=1S/C11H15N3O/c1-15-9-3-2-8(13)10-7(4-5-12)6-14-11(9)10/h2-3,6,14H,4-5,12-13H2,1H3

InChIKey

QEJUALPAIWFNBD-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-7-methoxy-1H-indol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.1215 Da
Monoisotopic Mass: 0.7
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]+	206.128776	143.4
[M+Na]+	228.110718	153.0
[M-H]-	204.114224	145.4
[M+NH4]+	223.155323	163.0
[M+K]+	244.084658	148.5
[M+H-H2O]+	188.118760	137.0
[M+HCOO]-	250.119701	167.7
[M+CH3COO]-	264.135351	188.8
[M+Na-2H]-	226.096166	148.6
[M]+	205.12095142	143.0
[M]-	205.12204858	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.