CID 132398773

2171460-57-2

Structural Information

Molecular Formula
C13H19NO5
SMILES
CC(C)(C)OC(=O)N1C=C(CCC1C(=O)OC)C=O
InChI
InChI=1S/C13H19NO5/c1-13(2,3)19-12(17)14-7-9(8-15)5-6-10(14)11(16)18-4/h7-8,10H,5-6H2,1-4H3
InChIKey
WKOFRWBSSNQTAW-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl 5-formyl-3,4-dihydro-2H-pyridine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1263 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13358 160.4
[M+Na]+ 292.11552 169.0
[M+NH4]+ 287.16012 164.8
[M+K]+ 308.08946 166.5
[M-H]- 268.11902 158.1
[M+Na-2H]- 290.10097 162.1
[M]+ 269.12575 160.5
[M]- 269.12685 160.5
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

No patent data available for this compound.