CID 75525

2436-29-5

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

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

InChI

InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2

InChIKey

IBSDSIHTMABATG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 476
Patents: 203.05824 Da
Monoisotopic Mass: 0.9
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	142.6
[M+Na]+	226.04746	154.8
[M+NH4]+	221.09206	150.1
[M+K]+	242.02140	150.4
[M-H]-	202.05096	143.1
[M+Na-2H]-	224.03291	146.7
[M]+	203.05769	144.2
[M]-	203.05879	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe