CID 728700

21695-35-2

Structural Information

Molecular Formula
C13H11NO6
SMILES
COC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC
InChI
InChI=1S/C13H11NO6/c1-19-10(15)6-14-11(16)8-4-3-7(13(18)20-2)5-9(8)12(14)17/h3-5H,6H2,1-2H3
InChIKey
RKBOORVKPMUCLS-UHFFFAOYSA-N
Compound name
methyl 2-(2-methoxy-2-oxoethyl)-1,3-dioxoisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

277.05862 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06590 155.5
[M+Na]+ 300.04784 165.1
[M-H]- 276.05134 159.5
[M+NH4]+ 295.09244 173.4
[M+K]+ 316.02178 163.9
[M+H-H2O]+ 260.05588 149.5
[M+HCOO]- 322.05682 176.6
[M+CH3COO]- 336.07247 198.3
[M+Na-2H]- 298.03329 156.9
[M]+ 277.05807 161.5
[M]- 277.05917 161.5
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.