CID 121553649

Tert-butyl 4-cyano-4-(2-oxopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C14H22N2O3/c1-11(17)9-14(10-15)5-7-16(8-6-14)12(18)19-13(2,3)4/h5-9H2,1-4H3
InChIKey
AYBNVQXNNLRUME-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-(2-oxopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 160.3
[M+Na]+ 289.15228 168.0
[M+NH4]+ 284.19688 163.6
[M+K]+ 305.12622 159.9
[M-H]- 265.15578 151.8
[M+Na-2H]- 287.13773 161.4
[M]+ 266.16251 158.0
[M]- 266.16361 158.0
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

No patent data available for this compound.