CID 121552806

Tert-butyl 4-cyano-4-(4-oxooxolan-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2COCC2=O
InChI
InChI=1S/C15H22N2O4/c1-14(2,3)21-13(19)17-6-4-15(10-16,5-7-17)11-8-20-9-12(11)18/h11H,4-9H2,1-3H3
InChIKey
STXREVDOCTUVTG-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-4-(4-oxooxolan-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 166.1
[M+Na]+ 317.14718 173.4
[M-H]- 293.15068 170.2
[M+NH4]+ 312.19178 180.7
[M+K]+ 333.12112 171.0
[M+H-H2O]+ 277.15522 153.5
[M+HCOO]- 339.15616 177.5
[M+CH3COO]- 353.17181 208.9
[M+Na-2H]- 315.13263 167.4
[M]+ 294.15741 159.5
[M]- 294.15851 159.5
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.