CID 18411

3130-75-4

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O

InChI

InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)

InChIKey

HMKSXJBFBVGLJJ-UHFFFAOYSA-N

Compound name

4-(1,3-dioxoisoindol-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 288
Patents: 233.0688 Da
Monoisotopic Mass: 1.3
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	150.4
[M+Na]+	256.05802	161.0
[M+NH4]+	251.10262	156.6
[M+K]+	272.03196	158.0
[M-H]-	232.06152	149.5
[M+Na-2H]-	254.04347	152.8
[M]+	233.06825	151.2
[M]-	233.06935	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe