CID 79215

N-propylphthalimide

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3

InChIKey

RLARUBPTQYKZKA-UHFFFAOYSA-N

Compound name

2-propylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 934
Patents: 189.07898 Da
Monoisotopic Mass: 2.4
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]+	190.08626	138.5
[M+Na]+	212.06820	148.7
[M-H]-	188.07170	142.3
[M+NH4]+	207.11280	160.3
[M+K]+	228.04214	145.7
[M+H-H2O]+	172.07624	132.7
[M+HCOO]-	234.07718	161.2
[M+CH3COO]-	248.09283	183.5
[M+Na-2H]-	210.05365	143.3
[M]+	189.07843	140.4
[M]-	189.07953	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe