CID 23600

Diglycidyl isophthalate

Structural Information

Molecular Formula

C₁₄H₁₄O₆

SMILES

C1C(O1)COC(=O)C2=CC(=CC=C2)C(=O)OCC3CO3

InChI

InChI=1S/C14H14O6/c15-13(19-7-11-5-17-11)9-2-1-3-10(4-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2

InChIKey

ZXOATMQSUNJNNG-UHFFFAOYSA-N

Compound name

bis(oxiran-2-ylmethyl) benzene-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4221
Patents: 278.07904 Da
Monoisotopic Mass: 1.0
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]+	279.086316	166.3
[M+Na]+	301.068258	173.2
[M-H]-	277.071764	177.0
[M+NH4]+	296.112863	169.1
[M+K]+	317.042198	174.4
[M+H-H2O]+	261.076300	159.0
[M+HCOO]-	323.077241	184.3
[M+CH3COO]-	337.092891	206.2
[M+Na-2H]-	299.053706	169.3
[M]+	278.07849142	175.7
[M]-	278.07958858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe