CID 6618868

479630-08-5

Structural Information

Molecular Formula
C15H25NO5
SMILES
CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO5/c1-5-20-13(18)10-12(17)11-6-8-16(9-7-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3
InChIKey
CWTULLANCDLMGK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

299.17328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18056 170.0
[M+Na]+ 322.16250 173.3
[M-H]- 298.16600 170.9
[M+NH4]+ 317.20710 183.7
[M+K]+ 338.13644 173.5
[M+H-H2O]+ 282.17054 163.4
[M+HCOO]- 344.17148 184.2
[M+CH3COO]- 358.18713 202.2
[M+Na-2H]- 320.14795 169.4
[M]+ 299.17273 171.4
[M]- 299.17383 171.4
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