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: 38
Patents: 256.1423 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.149576	159.0
[M+Na]+	279.131518	164.7
[M-H]-	255.135024	160.6
[M+NH4]+	274.176123	174.5
[M+K]+	295.105458	164.5
[M+H-H2O]+	239.139560	152.6
[M+HCOO]-	301.140501	176.6
[M+CH3COO]-	315.156151	196.4
[M+Na-2H]-	277.116966	160.3
[M]+	256.14175142	159.1
[M]-	256.14284858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe