CID 139595764

Spiroxamine-despropyl-acid

Structural Information

Molecular Formula

C₁₅H₂₇NO₄

SMILES

CCNCC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O

InChI

InChI=1S/C15H27NO4/c1-4-16-9-12-10-19-15(20-12)7-5-11(6-8-15)14(2,3)13(17)18/h11-12,16H,4-10H2,1-3H3,(H,17,18)

InChIKey

KLADUEZJDHFJBO-UHFFFAOYSA-N

Compound name

2-[3-(ethylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 285.194 Da
Monoisotopic Mass: -0.7
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]+	286.201276	168.1
[M+Na]+	308.183218	170.6
[M-H]-	284.186724	172.2
[M+NH4]+	303.227823	184.0
[M+K]+	324.157158	171.1
[M+H-H2O]+	268.191260	163.3
[M+HCOO]-	330.192201	181.6
[M+CH3COO]-	344.207851	199.3
[M+Na-2H]-	306.168666	171.5
[M]+	285.19345142	165.3
[M]-	285.19454858	165.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.