CID 70547

N-acetyltryptamine

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)

InChIKey

NVUGEQAEQJTCIX-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 75
References: 448
Patents: 202.11061 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]+	203.11789	144.0
[M+Na]+	225.09983	152.2
[M-H]-	201.10333	146.3
[M+NH4]+	220.14443	163.9
[M+K]+	241.07377	148.1
[M+H-H2O]+	185.10787	137.4
[M+HCOO]-	247.10881	167.4
[M+CH3COO]-	261.12446	184.8
[M+Na-2H]-	223.08528	150.4
[M]+	202.11006	144.4
[M]-	202.11116	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe