CID 67294972

1890573-14-4

Structural Information

Molecular Formula

C₁₂H₉NO₄

SMILES

C1C(C1N2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C12H9NO4/c14-10-6-3-1-2-4-7(6)11(15)13(10)9-5-8(9)12(16)17/h1-4,8-9H,5H2,(H,16,17)

InChIKey

FSSYOKZSNSKCIB-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.05316 Da
Monoisotopic Mass: 0.6
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]+	232.060436	149.4
[M+Na]+	254.042378	161.1
[M-H]-	230.045884	155.9
[M+NH4]+	249.086983	163.6
[M+K]+	270.016318	155.9
[M+H-H2O]+	214.050420	143.6
[M+HCOO]-	276.051361	169.6
[M+CH3COO]-	290.067011	191.2
[M+Na-2H]-	252.027826	151.6
[M]+	231.05261142	152.9
[M]-	231.05370858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe