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]+ 286.16490 164.9
[M+Na]+ 308.14684 169.8
[M-H]- 284.15034 166.3
[M+NH4]+ 303.19144 181.3
[M+K]+ 324.12078 170.1
[M+H-H2O]+ 268.15488 159.4
[M+HCOO]- 330.15582 180.4
[M+CH3COO]- 344.17147 197.9
[M+Na-2H]- 306.13229 167.4
[M]+ 285.15707 166.9
[M]- 285.15817 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