CID 165983716

Tert-butyl 4-{6-cyano-2-oxaspiro[3.3]heptan-6-yl}piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2(CC3(C2)COC3)C#N
InChI
InChI=1S/C17H26N2O3/c1-15(2,3)22-14(20)19-6-4-13(5-7-19)17(10-18)8-16(9-17)11-21-12-16/h13H,4-9,11-12H2,1-3H3
InChIKey
ASESDNKTIQGPHB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-cyano-2-oxaspiro[3.3]heptan-6-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 156.8
[M+Na]+ 329.183558 160.2
[M-H]- 305.187064 162.1
[M+NH4]+ 324.228163 159.8
[M+K]+ 345.157498 165.5
[M+H-H2O]+ 289.191600 138.0
[M+HCOO]- 351.192541 164.8
[M+CH3COO]- 365.208191 220.4
[M+Na-2H]- 327.169006 160.3
[M]+ 306.19379142 165.2
[M]- 306.19488858 165.2
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.