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]+ 326.232576 179.9
[M+Na]+ 348.214518 181.0
[M-H]- 324.218024 186.2
[M+NH4]+ 343.259123 193.3
[M+K]+ 364.188458 181.8
[M+H-H2O]+ 308.222560 172.9
[M+HCOO]- 370.223501 188.8
[M+CH3COO]- 384.239151 203.5
[M+Na-2H]- 346.199966 180.2
[M]+ 325.22475142 174.1
[M]- 325.22584858 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