CID 9993342

135716-09-5

Structural Information

Molecular Formula
C14H25NO4
SMILES
CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKey
PQEXLIRUMIRSAL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

891
Patents

271.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 165.4
[M+Na]+ 294.16756 169.2
[M-H]- 270.17106 166.5
[M+NH4]+ 289.21216 180.5
[M+K]+ 310.14150 169.1
[M+H-H2O]+ 254.17560 158.8
[M+HCOO]- 316.17654 180.5
[M+CH3COO]- 330.19219 197.1
[M+Na-2H]- 292.15301 166.1
[M]+ 271.17779 166.2
[M]- 271.17889 166.2
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