CID 13202145

2-pyrrolidinone, 1-acetyl-4-(acetyloxy)-, (+-)-

Structural Information

Molecular Formula
C8H11NO4
SMILES
CC(=O)N1CC(CC1=O)OC(=O)C
InChI
InChI=1S/C8H11NO4/c1-5(10)9-4-7(3-8(9)12)13-6(2)11/h7H,3-4H2,1-2H3
InChIKey
LUSGWYXTPNAINU-UHFFFAOYSA-N
Compound name
(1-acetyl-5-oxopyrrolidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0688 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.076076 136.8
[M+Na]+ 208.058018 144.7
[M-H]- 184.061524 139.3
[M+NH4]+ 203.102623 157.2
[M+K]+ 224.031958 144.8
[M+H-H2O]+ 168.066060 131.3
[M+HCOO]- 230.067001 157.8
[M+CH3COO]- 244.082651 180.0
[M+Na-2H]- 206.043466 137.8
[M]+ 185.06825142 137.8
[M]- 185.06934858 137.8
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

No patent data available for this compound.