CID 137963841

2490374-81-5

Structural Information

Molecular Formula

C₁₅H₂₃NO₅

SMILES

CC(C)(C)OC(=O)NCC12CC(C1)(C3(O2)CCC3)C(=O)O

InChI

InChI=1S/C15H23NO5/c1-12(2,3)20-11(19)16-9-13-7-14(8-13,10(17)18)15(21-13)5-4-6-15/h4-9H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

WKJBKZVHJJEMTM-UHFFFAOYSA-N

Compound name

1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[2-oxabicyclo[2.1.1]hexane-3,1'-cyclobutane]-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.15762 Da
Monoisotopic Mass: 1.0
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]+	298.164896	185.0
[M+Na]+	320.146838	185.5
[M-H]-	296.150344	187.7
[M+NH4]+	315.191443	196.1
[M+K]+	336.120778	190.2
[M+H-H2O]+	280.154880	176.6
[M+HCOO]-	342.155821	194.4
[M+CH3COO]-	356.171471	211.3
[M+Na-2H]-	318.132286	189.8
[M]+	297.15707142	205.8
[M]-	297.15816858	205.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.