CID 734424

137247-86-0

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

CC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H11NO4/c1-6(2)13-10(14)8-4-3-7(12(16)17)5-9(8)11(13)15/h3-6H,1-2H3,(H,16,17)

InChIKey

XZSFFEYOFGFERR-UHFFFAOYSA-N

Compound name

1,3-dioxo-2-propan-2-ylisoindole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 233.0688 Da
Monoisotopic Mass: 1.7
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]+	234.07608	149.8
[M+Na]+	256.05802	160.4
[M+NH4]+	251.10262	155.9
[M+K]+	272.03196	158.5
[M-H]-	232.06152	148.8
[M+Na-2H]-	254.04347	151.7
[M]+	233.06825	150.6
[M]-	233.06935	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe