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 159.2
[M+Na]+ 292.11552 165.5
[M-H]- 268.11902 161.3
[M+NH4]+ 287.16012 174.6
[M+K]+ 308.08946 165.5
[M+H-H2O]+ 252.12356 153.0
[M+HCOO]- 314.12450 176.5
[M+CH3COO]- 328.14015 196.2
[M+Na-2H]- 290.10097 161.0
[M]+ 269.12575 162.3
[M]- 269.12685 162.3
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.