CID 129966193

Tert-butyl 2-ethyl-4-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CCC1CC(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-5-8-6-9(13)7-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey
NVFCMLLJIQPRFV-UHFFFAOYSA-N
Compound name
tert-butyl 2-ethyl-4-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.3
[M+Na]+ 236.12571 156.4
[M-H]- 212.12921 151.5
[M+NH4]+ 231.17031 169.0
[M+K]+ 252.09965 155.9
[M+H-H2O]+ 196.13375 144.1
[M+HCOO]- 258.13469 168.2
[M+CH3COO]- 272.15034 186.6
[M+Na-2H]- 234.11116 150.7
[M]+ 213.13594 150.7
[M]- 213.13704 150.7
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.