CID 36852

Ketone, 2-indolyl methoxymethyl-

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

COCC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C11H11NO2/c1-14-7-11(13)10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,7H2,1H3

InChIKey

ZGDVYWIKWGTMSK-UHFFFAOYSA-N

Compound name

1-(1H-indol-2-yl)-2-methoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.07898 Da
Monoisotopic Mass: 1.9
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]+	190.086256	138.8
[M+Na]+	212.068198	148.2
[M-H]-	188.071704	141.2
[M+NH4]+	207.112803	159.4
[M+K]+	228.042138	144.9
[M+H-H2O]+	172.076240	132.6
[M+HCOO]-	234.077181	161.6
[M+CH3COO]-	248.092831	179.7
[M+Na-2H]-	210.053646	145.2
[M]+	189.07843142	141.0
[M]-	189.07952858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe