CID 129981646

Tert-butyl 2-cyclopropyl-4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1C2CC2
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-6-10(15)8-11(14)9-4-5-9/h9,11H,4-8H2,1-3H3
InChIKey
SIAVYQRAQLDPMD-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyclopropyl-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 159.1
[M+Na]+ 262.141368 166.3
[M-H]- 238.144874 164.7
[M+NH4]+ 257.185973 171.0
[M+K]+ 278.115308 163.9
[M+H-H2O]+ 222.149410 152.3
[M+HCOO]- 284.150351 175.6
[M+CH3COO]- 298.166001 194.4
[M+Na-2H]- 260.126816 160.8
[M]+ 239.15160142 160.3
[M]- 239.15269858 160.3
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.