CID 31969

Ketone, hydroxymethyl 1-methyl-3-indolyl

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CN1C=C(C2=CC=CC=C21)C(=O)CO

InChI

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

InChIKey

DFHGHQAFUBWFPM-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(1-methylindol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.07898 Da
Monoisotopic Mass: 1.3
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	138.4
[M+Na]+	212.068198	148.7
[M-H]-	188.071704	141.2
[M+NH4]+	207.112803	159.4
[M+K]+	228.042138	145.4
[M+H-H2O]+	172.076240	132.6
[M+HCOO]-	234.077181	161.3
[M+CH3COO]-	248.092831	180.8
[M+Na-2H]-	210.053646	144.1
[M]+	189.07843142	141.0
[M]-	189.07952858	141.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.