CID 121552339

1-tert-butyl 3-ethyl 5,5-dimethyl-4-oxopyrrolidine-1,3-dicarboxylate

Structural Information

Molecular Formula
C14H23NO5
SMILES
CCOC(=O)C1CN(C(C1=O)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-7-19-11(17)9-8-15(14(5,6)10(9)16)12(18)20-13(2,3)4/h9H,7-8H2,1-6H3
InChIKey
MPFHHVWPJLAKOP-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl 5,5-dimethyl-4-oxopyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15762 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 162.2
[M+Na]+ 308.14684 169.7
[M-H]- 284.15034 164.7
[M+NH4]+ 303.19144 181.2
[M+K]+ 324.12078 169.9
[M+H-H2O]+ 268.15488 158.3
[M+HCOO]- 330.15582 179.9
[M+CH3COO]- 344.17147 199.9
[M+Na-2H]- 306.13229 162.7
[M]+ 285.15707 167.1
[M]- 285.15817 167.1
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.