CID 60757822

1-methyl-2-oxo-2,3-dihydro-1h-indole-5-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CN1C(=O)CC2=C1C=CC(=C2)C=O

InChI

InChI=1S/C10H9NO2/c1-11-9-3-2-7(6-12)4-8(9)5-10(11)13/h2-4,6H,5H2,1H3

InChIKey

GRMNJRZDZIPZHT-UHFFFAOYSA-N

Compound name

1-methyl-2-oxo-3H-indole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.06332 Da
Monoisotopic Mass: 0.4
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]+	176.07060	133.7
[M+Na]+	198.05254	144.4
[M-H]-	174.05604	137.7
[M+NH4]+	193.09714	156.1
[M+K]+	214.02648	141.6
[M+H-H2O]+	158.06058	128.2
[M+HCOO]-	220.06152	156.8
[M+CH3COO]-	234.07717	180.4
[M+Na-2H]-	196.03799	139.1
[M]+	175.06277	135.3
[M]-	175.06387	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe