CID 105510441

1781087-70-4

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2CC(=O)NC2
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-5-4-9(8-15)10-6-11(16)14-7-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKey
ZTPXDUOFSULYBY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-oxopyrrolidin-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 162.9
[M+Na]+ 277.15226 167.6
[M-H]- 253.15576 165.1
[M+NH4]+ 272.19686 180.0
[M+K]+ 293.12620 165.9
[M+H-H2O]+ 237.16030 156.4
[M+HCOO]- 299.16124 177.6
[M+CH3COO]- 313.17689 189.5
[M+Na-2H]- 275.13771 160.6
[M]+ 254.16249 159.0
[M]- 254.16359 159.0
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.