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 161.9
[M+Na]+ 289.15228 168.8
[M-H]- 265.15578 163.3
[M+NH4]+ 284.19688 177.4
[M+K]+ 305.12622 167.0
[M+H-H2O]+ 249.16032 150.0
[M+HCOO]- 311.16126 174.1
[M+CH3COO]- 325.17691 207.1
[M+Na-2H]- 287.13773 163.9
[M]+ 266.16251 156.6
[M]- 266.16361 156.6
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.