CID 6420876

98977-34-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-8-14(7-6-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey
ABBVAMUCDQETDO-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl 4-oxopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

564
Patents

271.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 160.7
[M+Na]+ 294.13119 166.0
[M-H]- 270.13469 162.3
[M+NH4]+ 289.17579 175.9
[M+K]+ 310.10513 166.2
[M+H-H2O]+ 254.13923 154.6
[M+HCOO]- 316.14017 176.5
[M+CH3COO]- 330.15582 196.6
[M+Na-2H]- 292.11664 161.6
[M]+ 271.14142 162.3
[M]- 271.14252 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe