CID 67535

N-isopropylphthalimide

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

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

InChI

InChI=1S/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3

InChIKey

VPLDXHDOGVIETL-UHFFFAOYSA-N

Compound name

2-propan-2-ylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1292
Patents: 189.07898 Da
Monoisotopic Mass: 2.1
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	138.6
[M+Na]+	212.068198	148.5
[M-H]-	188.071704	142.5
[M+NH4]+	207.112803	160.3
[M+K]+	228.042138	145.9
[M+H-H2O]+	172.076240	133.0
[M+HCOO]-	234.077181	160.3
[M+CH3COO]-	248.092831	184.3
[M+Na-2H]-	210.053646	142.2
[M]+	189.07843142	139.9
[M]-	189.07952858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe