CID 45790959

1095010-47-1

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)OC
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8-9,14H,5-7H2,1-4H3
InChIKey
DFZMPKMSTNKZKL-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 5-hydroxypiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

259.14197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 158.8
[M+Na]+ 282.13119 166.1
[M+NH4]+ 277.17579 163.2
[M+K]+ 298.10513 164.3
[M-H]- 258.13469 156.1
[M+Na-2H]- 280.11664 159.3
[M]+ 259.14142 158.5
[M]- 259.14252 158.5
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