CID 203090

13793-48-1

Structural Information

Molecular Formula
C14H13NO4
SMILES
CC1(CC(C(=O)O1)N2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C14H13NO4/c1-14(2)7-10(13(18)19-14)15-11(16)8-5-3-4-6-9(8)12(15)17/h3-6,10H,7H2,1-2H3
InChIKey
MPRPCLWVAXZQCY-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyl-2-oxooxolan-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08447 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 155.9
[M+Na]+ 282.07369 167.3
[M+NH4]+ 277.11829 164.5
[M+K]+ 298.04763 164.2
[M-H]- 258.07719 158.7
[M+Na-2H]- 280.05914 160.0
[M]+ 259.08392 158.2
[M]- 259.08502 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.