CID 594907

19506-84-4

Structural Information

Molecular Formula

C₁₄H₁₅NO₄

SMILES

CCC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H15NO4/c1-3-8(2)11(14(18)19)15-12(16)9-6-4-5-7-10(9)13(15)17/h4-8,11H,3H2,1-2H3,(H,18,19)

InChIKey

RUUWUOYPIXTMLF-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 261.1001 Da
Monoisotopic Mass: 2.2
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]+	262.107376	157.6
[M+Na]+	284.089318	165.1
[M-H]-	260.092824	159.6
[M+NH4]+	279.133923	175.1
[M+K]+	300.063258	162.6
[M+H-H2O]+	244.097360	151.7
[M+HCOO]-	306.098301	175.2
[M+CH3COO]-	320.113951	196.2
[M+Na-2H]-	282.074766	157.0
[M]+	261.09955142	159.0
[M]-	261.10064858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.