CID 89371

2-(2-hydroxypropyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CC(CN1C(=O)C2C3CCC(C2C1=O)O3)O

InChI

InChI=1S/C11H15NO4/c1-5(13)4-12-10(14)8-6-2-3-7(16-6)9(8)11(12)15/h5-9,13H,2-4H2,1H3

InChIKey

GYESKCXGLKLYHY-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 225.10011 Da
Monoisotopic Mass: -0.8
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]+	226.107386	150.8
[M+Na]+	248.089328	158.9
[M-H]-	224.092834	153.1
[M+NH4]+	243.133933	173.8
[M+K]+	264.063268	157.8
[M+H-H2O]+	208.097370	148.2
[M+HCOO]-	270.098311	166.8
[M+CH3COO]-	284.113961	188.6
[M+Na-2H]-	246.074776	150.1
[M]+	225.09956142	152.1
[M]-	225.10065858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe