CID 11788855

135544-68-2

Structural Information

Molecular Formula
C8H9NO5
SMILES
C=CCOC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C8H9NO5/c1-2-5-13-8(12)14-9-6(10)3-4-7(9)11/h2H,1,3-5H2
InChIKey
OIXALTPBNZNFLJ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) prop-2-enyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

199.04807 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05535 137.9
[M+Na]+ 222.03729 146.1
[M-H]- 198.04079 140.2
[M+NH4]+ 217.08189 157.5
[M+K]+ 238.01123 145.7
[M+H-H2O]+ 182.04533 132.1
[M+HCOO]- 244.04627 160.2
[M+CH3COO]- 258.06192 180.4
[M+Na-2H]- 220.02274 140.2
[M]+ 199.04752 140.2
[M]- 199.04862 140.2
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