CID 57920278

1006044-27-4

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)C(=O)OC
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-5-13(9-15,6-8-14)10(16)18-4/h15H,5-9H2,1-4H3
InChIKey
UQZQXEFGHRYLNJ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

273.15762 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.0
[M+Na]+ 296.14684 167.5
[M-H]- 272.15034 163.1
[M+NH4]+ 291.19144 179.2
[M+K]+ 312.12078 167.8
[M+H-H2O]+ 256.15488 157.9
[M+HCOO]- 318.15582 177.1
[M+CH3COO]- 332.17147 193.3
[M+Na-2H]- 294.13229 165.4
[M]+ 273.15707 163.4
[M]- 273.15817 163.4
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