CID 15077805

129912-25-0

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

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

InChI

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

InChIKey

CYOJGCZECBHBRW-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2-oxo-1H-indole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
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]+	206.081176	142.4
[M+Na]+	228.063118	152.4
[M-H]-	204.066624	143.8
[M+NH4]+	223.107723	164.0
[M+K]+	244.037058	148.7
[M+H-H2O]+	188.071160	137.9
[M+HCOO]-	250.072101	161.2
[M+CH3COO]-	264.087751	181.0
[M+Na-2H]-	226.048566	146.4
[M]+	205.07335142	141.8
[M]-	205.07444858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe