CID 12396109

342412-30-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CCNCC1=C2C=CNC2=CC=C1

InChI

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

InChIKey

HIBJZFFYONQAOO-UHFFFAOYSA-N

Compound name

N-(1H-indol-4-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.11569 Da
Monoisotopic Mass: 1.8
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	136.0
[M+Na]+	197.104908	144.7
[M-H]-	173.108414	138.3
[M+NH4]+	192.149513	157.2
[M+K]+	213.078848	140.4
[M+H-H2O]+	157.112950	129.6
[M+HCOO]-	219.113891	160.4
[M+CH3COO]-	233.129541	149.5
[M+Na-2H]-	195.090356	144.2
[M]+	174.11514142	136.0
[M]-	174.11623858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe