CID 137964602

2228327-70-4

Structural Information

Molecular Formula

C₁₄H₂₃NO₅

SMILES

CC1(C2(CC(C2)(O1)CNC(=O)OC(C)(C)C)C(=O)O)C

InChI

InChI=1S/C14H23NO5/c1-11(2,3)19-10(18)15-8-13-6-14(7-13,9(16)17)12(4,5)20-13/h6-8H2,1-5H3,(H,15,18)(H,16,17)

InChIKey

NRDYQRGOXBYDEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.15762 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]+	286.164896	179.5
[M+Na]+	308.146838	183.7
[M-H]-	284.150344	179.6
[M+NH4]+	303.191443	199.1
[M+K]+	324.120778	186.2
[M+H-H2O]+	268.154880	175.6
[M+HCOO]-	330.155821	191.4
[M+CH3COO]-	344.171471	203.6
[M+Na-2H]-	306.132286	186.7
[M]+	285.15707142	195.9
[M]-	285.15816858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.