CID 168025092

Akos040805466

Structural Information

Molecular Formula

C₁₄H₂₃NO₅

SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)(C(=O)O)O

InChI

InChI=1S/C14H23NO5/c1-12(2,3)20-11(18)15-6-4-13(5-7-15)8-14(19,9-13)10(16)17/h19H,4-9H2,1-3H3,(H,16,17)

InChIKey

BQIBNBFOAOLHIU-UHFFFAOYSA-N

Compound name

2-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.15762 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]+	286.164896	169.1
[M+Na]+	308.146838	171.9
[M-H]-	284.150344	169.8
[M+NH4]+	303.191443	179.6
[M+K]+	324.120778	174.3
[M+H-H2O]+	268.154880	160.0
[M+HCOO]-	330.155821	179.2
[M+CH3COO]-	344.171471	195.9
[M+Na-2H]-	306.132286	171.3
[M]+	285.15707142	174.8
[M]-	285.15816858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.