CID 22061552

2,5-dioxopyrrolidin-1-yl carbamate

Structural Information

Molecular Formula
C5H6N2O4
SMILES
C1CC(=O)N(C1=O)OC(=O)N
InChI
InChI=1S/C5H6N2O4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-2H2,(H2,6,10)
InChIKey
IURPJDIWBPNRPJ-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

515
Patents

158.03276 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04004 127.4
[M+Na]+ 181.02198 135.7
[M-H]- 157.02548 129.6
[M+NH4]+ 176.06658 148.1
[M+K]+ 196.99592 135.6
[M+H-H2O]+ 141.03002 121.6
[M+HCOO]- 203.03096 150.6
[M+CH3COO]- 217.04661 175.1
[M+Na-2H]- 179.00743 130.4
[M]+ 158.03221 126.1
[M]- 158.03331 126.1
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