CID 169226202

1-boc-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine

Structural Information

Molecular Formula
C18H31NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CCC3(CC2)OCCO3
InChI
InChI=1S/C18H31NO4/c1-17(2,3)23-16(20)19-10-6-15(7-11-19)14-4-8-18(9-5-14)21-12-13-22-18/h14-15H,4-13H2,1-3H3
InChIKey
XQSFCHMYCBPWRX-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.2253 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23258 179.9
[M+Na]+ 348.21452 181.0
[M-H]- 324.21802 186.2
[M+NH4]+ 343.25912 193.3
[M+K]+ 364.18846 181.8
[M+H-H2O]+ 308.22256 172.9
[M+HCOO]- 370.22350 188.8
[M+CH3COO]- 384.23915 203.5
[M+Na-2H]- 346.19997 180.2
[M]+ 325.22475 174.1
[M]- 325.22585 174.1
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