CID 11276893

161491-24-3

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)C(=O)OC
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-9(14)8(7-13)10(15)17-4/h8H,5-7H2,1-4H3
InChIKey
HBWUTYLVFYVXML-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

622
Patents

257.1263 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 156.0
[M+Na]+ 280.11552 161.8
[M-H]- 256.11902 157.9
[M+NH4]+ 275.16012 171.9
[M+K]+ 296.08946 162.2
[M+H-H2O]+ 240.12356 150.1
[M+HCOO]- 302.12450 172.3
[M+CH3COO]- 316.14015 193.6
[M+Na-2H]- 278.10097 157.5
[M]+ 257.12575 157.4
[M]- 257.12685 157.4
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