CID 99858

Hexahydrophthalimide glutarimide

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₄

SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3CCC(=O)NC3=O

InChI

InChI=1S/C13H16N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h7-9H,1-6H2,(H,14,16,17)

InChIKey

IWKLKPPKVNKYPD-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 264.111 Da
Monoisotopic Mass: 0.0
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]+	265.118276	160.1
[M+Na]+	287.100218	166.1
[M-H]-	263.103724	162.7
[M+NH4]+	282.144823	175.7
[M+K]+	303.074158	162.0
[M+H-H2O]+	247.108260	152.7
[M+HCOO]-	309.109201	172.4
[M+CH3COO]-	323.124851	193.5
[M+Na-2H]-	285.085666	158.2
[M]+	264.11045142	152.4
[M]-	264.11154858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe