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]+ 214.143766 149.3
[M+Na]+ 236.125708 156.4
[M-H]- 212.129214 151.5
[M+NH4]+ 231.170313 169.0
[M+K]+ 252.099648 155.9
[M+H-H2O]+ 196.133750 144.1
[M+HCOO]- 258.134691 168.2
[M+CH3COO]- 272.150341 186.6
[M+Na-2H]- 234.111156 150.7
[M]+ 213.13594142 150.7
[M]- 213.13703858 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.