CID 140998

23101-87-3

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

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

InChI

InChI=1S/C11H9NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-7H,1H3

InChIKey

HAFHCXUQAOHMMF-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 203.05824 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]+	204.06552	142.4
[M+Na]+	226.04746	154.2
[M+NH4]+	221.09206	149.8
[M+K]+	242.02140	150.6
[M-H]-	202.05096	142.6
[M+Na-2H]-	224.03291	146.1
[M]+	203.05769	143.9
[M]-	203.05879	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe