CID 15930656

2,5-dioxopyrrolidin-1-yl formate

Structural Information

Molecular Formula
C5H5NO4
SMILES
C1CC(=O)N(C1=O)OC=O
InChI
InChI=1S/C5H5NO4/c7-3-10-6-4(8)1-2-5(6)9/h3H,1-2H2
InChIKey
HTHSIXDWFKZUGO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1663
Patents

143.02185 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02913 122.3
[M+Na]+ 166.01107 131.8
[M-H]- 142.01457 125.0
[M+NH4]+ 161.05567 144.3
[M+K]+ 181.98501 131.7
[M+H-H2O]+ 126.01911 117.0
[M+HCOO]- 188.02005 146.2
[M+CH3COO]- 202.03570 170.5
[M+Na-2H]- 163.99652 127.2
[M]+ 143.02130 123.6
[M]- 143.02240 123.6
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