CID 201763

1-piperidinecarboxylic acid, 3-oxetanylidenedimethylene ester

Structural Information

Molecular Formula
C17H28N2O5
SMILES
C1CCN(CC1)C(=O)OCC2(CCO2)COC(=O)N3CCCCC3
InChI
InChI=1S/C17H28N2O5/c20-15(18-8-3-1-4-9-18)22-13-17(7-12-24-17)14-23-16(21)19-10-5-2-6-11-19/h1-14H2
InChIKey
RTNGTOYXXHBQMV-UHFFFAOYSA-N
Compound name
[2-(piperidine-1-carbonyloxymethyl)oxetan-2-yl]methyl piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19983 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20711 177.0
[M+Na]+ 363.18905 175.0
[M-H]- 339.19255 181.2
[M+NH4]+ 358.23365 180.3
[M+K]+ 379.16299 179.0
[M+H-H2O]+ 323.19709 162.0
[M+HCOO]- 385.19803 185.9
[M+CH3COO]- 399.21368 207.2
[M+Na-2H]- 361.17450 176.9
[M]+ 340.19928 180.3
[M]- 340.20038 180.3
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.