CID 57646309

622398-31-6

Structural Information

Molecular Formula
C13H12N2O7
SMILES
CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C13H12N2O7/c1-8(9-4-2-3-5-10(9)15(19)20)21-13(18)22-14-11(16)6-7-12(14)17/h2-5,8H,6-7H2,1H3
InChIKey
DJFLQUSBXBBZEK-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 1-(2-nitrophenyl)ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.06445 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07173 164.4
[M+Na]+ 331.05367 169.8
[M-H]- 307.05717 170.0
[M+NH4]+ 326.09827 178.0
[M+K]+ 347.02761 165.1
[M+H-H2O]+ 291.06171 161.3
[M+HCOO]- 353.06265 186.2
[M+CH3COO]- 367.07830 195.0
[M+Na-2H]- 329.03912 166.8
[M]+ 308.06390 164.6
[M]- 308.06500 164.6
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

patents stripe