CID 71302106

1253791-57-9

Structural Information

Molecular Formula
C14H23NO5
SMILES
CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C14H23NO5/c1-5-19-11(17)14(10-16)6-8-15(9-7-14)12(18)20-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
PKEYJCKTQWJLCD-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-ethyl 4-formylpiperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

285.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.164896 164.9
[M+Na]+ 308.146838 169.8
[M-H]- 284.150344 166.3
[M+NH4]+ 303.191443 181.3
[M+K]+ 324.120778 170.1
[M+H-H2O]+ 268.154880 159.4
[M+HCOO]- 330.155821 180.4
[M+CH3COO]- 344.171471 197.9
[M+Na-2H]- 306.132286 167.4
[M]+ 285.15707142 166.9
[M]- 285.15816858 166.9
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