CID 75335

2314-79-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1=CC=C(C=C1)N2C(=O)CCC2=O

InChI

InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3

InChIKey

IDSFKFXFMNGXCK-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 48
Patents: 189.07898 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]+	190.086256	138.4
[M+Na]+	212.068198	147.5
[M-H]-	188.071704	144.3
[M+NH4]+	207.112803	158.8
[M+K]+	228.042138	144.7
[M+H-H2O]+	172.076240	131.8
[M+HCOO]-	234.077181	161.3
[M+CH3COO]-	248.092831	182.0
[M+Na-2H]-	210.053646	141.5
[M]+	189.07843142	137.5
[M]-	189.07952858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe