CID 10901878

438470-19-0

Structural Information

Molecular Formula
C13H11NO6
SMILES
COC(=O)C1=CC=CC=C1C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C13H11NO6/c1-19-12(17)8-4-2-3-5-9(8)13(18)20-14-10(15)6-7-11(14)16/h2-5H,6-7H2,1H3
InChIKey
GIJSYLHKJRKNDW-UHFFFAOYSA-N
Compound name
2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

76
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 156.1
[M+Na]+ 300.04784 163.8
[M-H]- 276.05134 161.9
[M+NH4]+ 295.09244 172.2
[M+K]+ 316.02178 162.8
[M+H-H2O]+ 260.05588 149.0
[M+HCOO]- 322.05682 177.4
[M+CH3COO]- 336.07247 195.5
[M+Na-2H]- 298.03329 156.4
[M]+ 277.05807 158.9
[M]- 277.05917 158.9
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

patents stripe