CID 115269489

Tert-butyl 2,2-dimethyl-5-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CCC(=O)CN1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-9(14)6-7-12(13,4)5/h6-8H2,1-5H3
InChIKey
OSXYWCDUZJABRB-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dimethyl-5-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

227.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 151.0
[M+Na]+ 250.141368 157.8
[M-H]- 226.144874 153.2
[M+NH4]+ 245.185973 170.4
[M+K]+ 266.115308 157.6
[M+H-H2O]+ 210.149410 146.3
[M+HCOO]- 272.150351 167.6
[M+CH3COO]- 286.166001 189.5
[M+Na-2H]- 248.126816 154.7
[M]+ 227.15160142 151.1
[M]- 227.15269858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe