CID 16218276

189442-87-3

Structural Information

Molecular Formula
C14H25NO4
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
InChIKey
ZQZVWDXMUCTNRI-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

271.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 163.8
[M+Na]+ 294.16756 168.6
[M-H]- 270.17106 165.2
[M+NH4]+ 289.21216 181.0
[M+K]+ 310.14150 168.9
[M+H-H2O]+ 254.17560 158.5
[M+HCOO]- 316.17654 178.9
[M+CH3COO]- 330.19219 196.6
[M+Na-2H]- 292.15301 166.0
[M]+ 271.17779 165.0
[M]- 271.17889 165.0
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