CID 32750

24955-83-7

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CN(C)CCC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C13H16N2O/c1-15(2)8-7-13(16)11-9-14-12-6-4-3-5-10(11)12/h3-6,9,14H,7-8H2,1-2H3

InChIKey

LAHVNBMMXFLOQD-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-(1H-indol-3-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 216.12627 Da
Monoisotopic Mass: 2.0
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]+	217.133546	148.9
[M+Na]+	239.115488	156.7
[M-H]-	215.118994	152.4
[M+NH4]+	234.160093	168.7
[M+K]+	255.089428	153.7
[M+H-H2O]+	199.123530	141.9
[M+HCOO]-	261.124471	172.4
[M+CH3COO]-	275.140121	191.9
[M+Na-2H]-	237.100936	153.9
[M]+	216.12572142	150.9
[M]-	216.12681858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe