CID 82124676

1-tert-butyl 4-ethyl 4-acetylpiperidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C15H25NO5
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)C
InChI
InChI=1S/C15H25NO5/c1-6-20-12(18)15(11(2)17)7-9-16(10-8-15)13(19)21-14(3,4)5/h6-10H2,1-5H3
InChIKey
GLBCHSPQVZSUNR-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.17328 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 168.3
[M+Na]+ 322.16250 172.6
[M-H]- 298.16600 169.6
[M+NH4]+ 317.20710 184.1
[M+K]+ 338.13644 173.3
[M+H-H2O]+ 282.17054 163.0
[M+HCOO]- 344.17148 182.6
[M+CH3COO]- 358.18713 201.8
[M+Na-2H]- 320.14795 169.3
[M]+ 299.17273 170.1
[M]- 299.17383 170.1
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

No patent data available for this compound.