CID 14323981

2-(5-oxopyrrolidin-2-yl)ethyl acetate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=O)OCCC1CCC(=O)N1
InChI
InChI=1S/C8H13NO3/c1-6(10)12-5-4-7-2-3-8(11)9-7/h7H,2-5H2,1H3,(H,9,11)
InChIKey
QBJIWDVWEGCYPB-UHFFFAOYSA-N
Compound name
2-(5-oxopyrrolidin-2-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

171.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.4
[M+Na]+ 194.078758 143.8
[M-H]- 170.082264 137.8
[M+NH4]+ 189.123363 157.4
[M+K]+ 210.052698 142.6
[M+H-H2O]+ 154.086800 131.5
[M+HCOO]- 216.087741 157.3
[M+CH3COO]- 230.103391 174.7
[M+Na-2H]- 192.064206 139.4
[M]+ 171.08899142 135.9
[M]- 171.09008858 135.9
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

patents stripe