CID 384240

79087-58-4

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂O

SMILES

CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)

InChIKey

WJIFPSFOSMKSAB-UHFFFAOYSA-N

Compound name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 236.07164 Da
Monoisotopic Mass: 1.4
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]+	237.078916	151.3
[M+Na]+	259.060858	161.2
[M-H]-	235.064364	153.6
[M+NH4]+	254.105463	171.0
[M+K]+	275.034798	155.2
[M+H-H2O]+	219.068900	145.6
[M+HCOO]-	281.069841	170.0
[M+CH3COO]-	295.085491	189.8
[M+Na-2H]-	257.046306	156.3
[M]+	236.07109142	154.0
[M]-	236.07218858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe