CID 139026546

2361828-52-4

Structural Information

Molecular Formula

C₁₃H₂₁NO₅

SMILES

CC(C)(C)OC(=O)N1CCC[C@]2([C@@H]1COC2)C(=O)O

InChI

InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-6-4-5-13(10(15)16)8-18-7-9(13)14/h9H,4-8H2,1-3H3,(H,15,16)/t9-,13-/m0/s1

InChIKey

LJFSMUIXUPRULZ-ZANVPECISA-N

Compound name

(4aR,7aR)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,7,7a-hexahydrofuro[3,4-b]pyridine-4a-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.14197 Da
Monoisotopic Mass: 0.6
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	161.7
[M+Na]+	294.131188	166.4
[M-H]-	270.134694	163.2
[M+NH4]+	289.175793	179.3
[M+K]+	310.105128	167.0
[M+H-H2O]+	254.139230	157.3
[M+HCOO]-	316.140171	173.9
[M+CH3COO]-	330.155821	192.0
[M+Na-2H]-	292.116636	164.8
[M]+	271.14142142	160.8
[M]-	271.14251858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.