CID 102479986

1160722-73-5

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CCC=CC1C(=O)OC

InChI

InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(13)10(14)16-4/h5,7,9H,6,8H2,1-4H3

InChIKey

UCUNPJXWEUIKEF-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 6-O-methyl 3,6-dihydro-2H-pyridine-1,6-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.13141 Da
Monoisotopic Mass: 1.9
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]+	242.138686	154.5
[M+Na]+	264.120628	160.2
[M-H]-	240.124134	156.4
[M+NH4]+	259.165233	171.0
[M+K]+	280.094568	160.4
[M+H-H2O]+	224.128670	148.3
[M+HCOO]-	286.129611	171.8
[M+CH3COO]-	300.145261	190.7
[M+Na-2H]-	262.106076	157.3
[M]+	241.13086142	156.1
[M]-	241.13195858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe