CID 58024612

1005333-21-0

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(=C(C1)C(=O)OC)N
InChI
InChI=1S/C12H20N2O4/c1-12(2,3)18-11(16)14-6-5-9(13)8(7-14)10(15)17-4/h5-7,13H2,1-4H3
InChIKey
CODSNOZIVIOEGO-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl 4-amino-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

256.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 159.0
[M+Na]+ 279.13152 164.7
[M-H]- 255.13502 160.6
[M+NH4]+ 274.17612 174.5
[M+K]+ 295.10546 164.5
[M+H-H2O]+ 239.13956 152.6
[M+HCOO]- 301.14050 176.6
[M+CH3COO]- 315.15615 196.4
[M+Na-2H]- 277.11697 160.3
[M]+ 256.14175 159.1
[M]- 256.14285 159.1
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