CID 72208138

1403766-87-9

Structural Information

Molecular Formula

C₁₄H₂₃NO₄

SMILES

CC(C)(C)OC(=O)N1CC2CCC(C1)C2C(=O)OC

InChI

InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-7-9-5-6-10(8-15)11(9)12(16)18-4/h9-11H,5-8H2,1-4H3

InChIKey

RFBVTSPWBOBKLB-UHFFFAOYSA-N

Compound name

3-O-tert-butyl 8-O-methyl 3-azabicyclo[3.2.1]octane-3,8-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 269.16272 Da
Monoisotopic Mass: 1.7
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]+	270.169996	164.9
[M+Na]+	292.151938	170.0
[M-H]-	268.155444	165.7
[M+NH4]+	287.196543	183.7
[M+K]+	308.125878	169.4
[M+H-H2O]+	252.159980	159.9
[M+HCOO]-	314.160921	178.7
[M+CH3COO]-	328.176571	197.3
[M+Na-2H]-	290.137386	165.8
[M]+	269.16217142	166.0
[M]-	269.16326858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe