CID 139026751

2114978-68-4

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)N1CC2CC(CC(C1)C2N)C(=O)OC

InChI

InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-7-10-5-9(13(18)20-4)6-11(8-17)12(10)16/h9-12H,5-8,16H2,1-4H3

InChIKey

WZOSRKHNPAKZFS-UHFFFAOYSA-N

Compound name

3-O-tert-butyl 7-O-methyl 9-amino-3-azabicyclo[3.3.1]nonane-3,7-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.18927 Da
Monoisotopic Mass: 0.9
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]+	299.196546	171.7
[M+Na]+	321.178488	175.4
[M-H]-	297.181994	171.6
[M+NH4]+	316.223093	187.0
[M+K]+	337.152428	174.7
[M+H-H2O]+	281.186530	165.7
[M+HCOO]-	343.187471	183.2
[M+CH3COO]-	357.203121	206.8
[M+Na-2H]-	319.163936	172.4
[M]+	298.18872142	169.7
[M]-	298.18981858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.