CID 58622604

870243-67-7

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

CC(C)(C)OCCON1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H17NO4/c1-14(2,3)18-8-9-19-15-12(16)10-6-4-5-7-11(10)13(15)17/h4-7H,8-9H2,1-3H3

InChIKey

MZLJGLBNSMYYHY-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 263.11575 Da
Monoisotopic Mass: 2.2
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]+	264.123026	159.4
[M+Na]+	286.104968	168.4
[M-H]-	262.108474	162.9
[M+NH4]+	281.149573	178.1
[M+K]+	302.078908	166.3
[M+H-H2O]+	246.113010	153.4
[M+HCOO]-	308.113951	179.7
[M+CH3COO]-	322.129601	196.4
[M+Na-2H]-	284.090416	163.7
[M]+	263.11520142	164.7
[M]-	263.11629858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe