CID 21134047

1-methylindoline-6-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CN1CCC2=C1C=C(C=C2)C(=O)O

InChI

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

InChIKey

LFRPPHGMTHMKPU-UHFFFAOYSA-N

Compound name

1-methyl-2,3-dihydroindole-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 177.07898 Da
Monoisotopic Mass: 1.6
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	136.9
[M+Na]+	200.06820	148.4
[M+NH4]+	195.11280	145.2
[M+K]+	216.04214	144.8
[M-H]-	176.07170	137.6
[M+Na-2H]-	198.05365	141.2
[M]+	177.07843	138.5
[M]-	177.07953	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe