CID 167740724

Tert-butyl 4,4-dimethyl-6-oxopiperidine-3-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC1(CC(=O)NCC1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)8-7-13-9(14)6-12(8,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKey
LBRQAQOTQXXCGC-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-dimethyl-6-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 152.1
[M+Na]+ 250.14137 158.3
[M-H]- 226.14487 152.7
[M+NH4]+ 245.18597 170.6
[M+K]+ 266.11531 157.2
[M+H-H2O]+ 210.14941 147.6
[M+HCOO]- 272.15035 167.0
[M+CH3COO]- 286.16600 187.6
[M+Na-2H]- 248.12682 155.1
[M]+ 227.15160 150.3
[M]- 227.15270 150.3
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.