CID 75481058

Tert-butyl 4-(5-oxopyrrolidin-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CC(=O)NC2
InChI
InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)11-8-12(17)15-9-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKey
FROYIVDQMKSAJT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-oxopyrrolidin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

268.17868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18596 165.2
[M+Na]+ 291.16790 172.1
[M+NH4]+ 286.21250 170.6
[M+K]+ 307.14184 170.5
[M-H]- 267.17140 164.3
[M+Na-2H]- 289.15335 166.6
[M]+ 268.17813 165.4
[M]- 268.17923 165.4
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

patents stripe