CID 23492

7518-21-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CN1C=C(C2=CC=CC=C21)CCN

InChI

InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3

InChIKey

CAAGZPJPCKMFBD-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 512
Patents: 174.11569 Da
Monoisotopic Mass: 1.3
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]+	175.122966	136.4
[M+Na]+	197.104908	146.5
[M-H]-	173.108414	139.9
[M+NH4]+	192.149513	158.4
[M+K]+	213.078848	142.7
[M+H-H2O]+	157.112950	130.1
[M+HCOO]-	219.113891	161.6
[M+CH3COO]-	233.129541	183.5
[M+Na-2H]-	195.090356	143.2
[M]+	174.11514142	137.7
[M]-	174.11623858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe