CID 59131037

1221821-84-6

Structural Information

Molecular Formula
C12H21NO3
SMILES
C[C@@H]1CN(C[C@@H](C1=O)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-8-6-13(7-9(2)10(8)14)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+
InChIKey
WTHLCGOZBTXTTE-DTORHVGOSA-N
Compound name
tert-butyl (3S,5R)-3,5-dimethyl-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

227.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 151.9
[M+Na]+ 250.14137 158.7
[M-H]- 226.14487 154.1
[M+NH4]+ 245.18597 169.5
[M+K]+ 266.11531 158.1
[M+H-H2O]+ 210.14941 146.4
[M+HCOO]- 272.15035 168.4
[M+CH3COO]- 286.16600 191.2
[M+Na-2H]- 248.12682 153.5
[M]+ 227.15160 152.0
[M]- 227.15270 152.0
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

patents stripe