CID 68533155

Tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)COC
InChI
InChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-7-5-13(9-15,6-8-14)10-17-4/h15H,5-10H2,1-4H3
InChIKey
MOMGPXHNANHSBY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)-4-(methoxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

259.17834 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.185616 162.4
[M+Na]+ 282.167558 166.9
[M-H]- 258.171064 162.4
[M+NH4]+ 277.212163 179.4
[M+K]+ 298.141498 166.6
[M+H-H2O]+ 242.175600 157.0
[M+HCOO]- 304.176541 177.0
[M+CH3COO]- 318.192191 191.7
[M+Na-2H]- 280.153006 165.6
[M]+ 259.17779142 162.7
[M]- 259.17888858 162.7
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