CID 84460

1-(acetoxy)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C6H7NO4
SMILES
CC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3
InChIKey
SIFCHNIAAPMMKG-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3922
Patents

157.0375 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 127.4
[M+Na]+ 180.02672 136.2
[M-H]- 156.03022 130.0
[M+NH4]+ 175.07132 148.8
[M+K]+ 196.00066 136.3
[M+H-H2O]+ 140.03476 122.0
[M+HCOO]- 202.03570 149.9
[M+CH3COO]- 216.05135 173.7
[M+Na-2H]- 178.01217 130.5
[M]+ 157.03695 128.3
[M]- 157.03805 128.3
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