CID 4436570

141642-82-2

Structural Information

Molecular Formula
C14H23NO5
SMILES
CCOC(=O)C1CCN(CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-5-19-12(17)10-6-8-15(9-7-11(10)16)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3
InChIKey
FGOJCPKOOGIRPA-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5225
Patents

285.15762 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 162.7
[M+Na]+ 308.14684 168.4
[M+NH4]+ 303.19144 166.3
[M+K]+ 324.12078 167.5
[M-H]- 284.15034 160.2
[M+Na-2H]- 306.13229 163.5
[M]+ 285.15707 162.4
[M]- 285.15817 162.4
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

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