CID 13202145

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

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]+ 186.07608 136.8
[M+Na]+ 208.05802 144.7
[M-H]- 184.06152 139.3
[M+NH4]+ 203.10262 157.2
[M+K]+ 224.03196 144.8
[M+H-H2O]+ 168.06606 131.3
[M+HCOO]- 230.06700 157.8
[M+CH3COO]- 244.08265 180.0
[M+Na-2H]- 206.04347 137.8
[M]+ 185.06825 137.8
[M]- 185.06935 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.