CID 12234381

Ethyl[(1h-indol-3-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CCNCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H14N2/c1-2-12-7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,12-13H,2,7H2,1H3

InChIKey

GCRIGFSHNKTTHN-UHFFFAOYSA-N

Compound name

N-(1H-indol-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 174.11569 Da
Monoisotopic Mass: 1.7
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]+	175.12297	136.0
[M+Na]+	197.10491	144.7
[M-H]-	173.10841	138.3
[M+NH4]+	192.14951	157.2
[M+K]+	213.07885	140.4
[M+H-H2O]+	157.11295	129.6
[M+HCOO]-	219.11389	160.4
[M+CH3COO]-	233.12954	149.5
[M+Na-2H]-	195.09036	144.2
[M]+	174.11514	136.0
[M]-	174.11624	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe