CID 14624055

127267-57-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CC1(C2=C(C=C(C=C2)C(=O)O)NC1=O)C

InChI

InChI=1S/C11H11NO3/c1-11(2)7-4-3-6(9(13)14)5-8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14)

InChIKey

ARPWLTXDPCHBLE-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 205.0739 Da
Monoisotopic Mass: 1.2
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]+	206.08118	143.8
[M+Na]+	228.06312	154.6
[M+NH4]+	223.10772	152.2
[M+K]+	244.03706	150.0
[M-H]-	204.06662	143.2
[M+Na-2H]-	226.04857	148.0
[M]+	205.07335	145.0
[M]-	205.07445	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe