CID 51354110

Schembl102380

Structural Information

Molecular Formula
C13H15NO4
SMILES
COCCOCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H15NO4/c1-17-8-9-18-7-6-14-12(15)10-4-2-3-5-11(10)13(14)16/h2-5H,6-9H2,1H3
InChIKey
KOKCEBFIVUYHAQ-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

249.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 153.5
[M+Na]+ 272.089328 162.5
[M-H]- 248.092834 156.8
[M+NH4]+ 267.133933 172.6
[M+K]+ 288.063268 160.1
[M+H-H2O]+ 232.097370 146.9
[M+HCOO]- 294.098311 175.9
[M+CH3COO]- 308.113961 193.7
[M+Na-2H]- 270.074776 157.4
[M]+ 249.09956142 159.0
[M]- 249.10065858 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.