CID 165916020

Tert-butyl 4-cyano-4-(3-oxopropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCC=O)C#N
InChI
InChI=1S/C14H22N2O3/c1-13(2,3)19-12(18)16-8-6-14(11-15,7-9-16)5-4-10-17/h10H,4-9H2,1-3H3
InChIKey
PWZNOVSBDXYUFW-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-(3-oxopropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.16306 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 161.0
[M+Na]+ 289.15228 169.1
[M+NH4]+ 284.19688 164.5
[M+K]+ 305.12622 160.2
[M-H]- 265.15578 152.7
[M+Na-2H]- 287.13773 162.3
[M]+ 266.16251 158.9
[M]- 266.16361 158.9
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