CID 214258

Pufemid

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC(C)OC1=CC=C(C=C1)C2CC(=O)NC2=O

InChI

InChI=1S/C13H15NO3/c1-8(2)17-10-5-3-9(4-6-10)11-7-12(15)14-13(11)16/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)

InChIKey

HKLLMIGGBZSJIG-UHFFFAOYSA-N

Compound name

3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 3
Patents: 233.1052 Da
Monoisotopic Mass: 1.4
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]+	234.112476	151.5
[M+Na]+	256.094418	158.8
[M-H]-	232.097924	155.7
[M+NH4]+	251.139023	169.1
[M+K]+	272.068358	155.7
[M+H-H2O]+	216.102460	144.7
[M+HCOO]-	278.103401	171.3
[M+CH3COO]-	292.119051	188.5
[M+Na-2H]-	254.079866	151.9
[M]+	233.10465142	150.2
[M]-	233.10574858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe