CID 165589645

Tert-butyl2,2-diethyl-4-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CCC1(CC(=O)CN1C(=O)OC(C)(C)C)CC
InChI
InChI=1S/C13H23NO3/c1-6-13(7-2)8-10(15)9-14(13)11(16)17-12(3,4)5/h6-9H2,1-5H3
InChIKey
SNVWZXIYQZOCRR-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-diethyl-4-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 156.0
[M+Na]+ 264.15702 163.2
[M-H]- 240.16052 158.2
[M+NH4]+ 259.20162 176.7
[M+K]+ 280.13096 162.5
[M+H-H2O]+ 224.16506 151.6
[M+HCOO]- 286.16600 174.4
[M+CH3COO]- 300.18165 192.1
[M+Na-2H]- 262.14247 158.0
[M]+ 241.16725 158.5
[M]- 241.16835 158.5
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.