CID 141429206

Lithium(1+) 4-[(tert-butoxy)carbonyl]-octahydrofuro[3,2-b]pyridine-6-carboxylate

Structural Information

Molecular Formula

C₁₃H₂₁NO₅

SMILES

CC(C)(C)OC(=O)N1CC(CC2C1CCO2)C(=O)O

InChI

InChI=1S/C13H21NO5/c1-13(2,3)19-12(17)14-7-8(11(15)16)6-10-9(14)4-5-18-10/h8-10H,4-7H2,1-3H3,(H,15,16)

InChIKey

IXRUMBAPWZUQAD-UHFFFAOYSA-N

Compound name

4-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.14197 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]+	272.149246	162.1
[M+Na]+	294.131188	166.7
[M-H]-	270.134694	163.6
[M+NH4]+	289.175793	177.9
[M+K]+	310.105128	167.0
[M+H-H2O]+	254.139230	157.0
[M+HCOO]-	316.140171	174.2
[M+CH3COO]-	330.155821	193.8
[M+Na-2H]-	292.116636	163.1
[M]+	271.14142142	161.2
[M]-	271.14251858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe