CID 23433157

2089277-49-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1(CC2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C10H11NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h2-5,11H,6H2,1H3,(H,12,13)

InChIKey

ITHZTEGECADJIH-UHFFFAOYSA-N

Compound name

2-methyl-1,3-dihydroindole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 177.07898 Da
Monoisotopic Mass: 1.8
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]+	178.08626	137.6
[M+Na]+	200.06820	146.0
[M-H]-	176.07170	138.4
[M+NH4]+	195.11280	159.9
[M+K]+	216.04214	142.6
[M+H-H2O]+	160.07624	132.6
[M+HCOO]-	222.07718	156.4
[M+CH3COO]-	236.09283	174.2
[M+Na-2H]-	198.05365	143.2
[M]+	177.07843	135.1
[M]-	177.07953	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe