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 166.6
[M+Na]+ 291.16790 170.1
[M-H]- 267.17140 168.1
[M+NH4]+ 286.21250 181.2
[M+K]+ 307.14184 167.9
[M+H-H2O]+ 251.17594 159.3
[M+HCOO]- 313.17688 178.8
[M+CH3COO]- 327.19253 192.6
[M+Na-2H]- 289.15335 165.1
[M]+ 268.17813 160.8
[M]- 268.17923 160.8
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