CID 139597481

Spiroxamine-acid

Structural Information

Molecular Formula

C₁₈H₃₃NO₄

SMILES

CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C(=O)O

InChI

InChI=1S/C18H33NO4/c1-5-11-19(6-2)12-15-13-22-18(23-15)9-7-14(8-10-18)17(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21)

InChIKey

VMUODEDOHPQLOD-UHFFFAOYSA-N

Compound name

2-[3-[[ethyl(propyl)amino]methyl]-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: 327.24097 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]+	328.248246	181.5
[M+Na]+	350.230188	182.9
[M-H]-	326.233694	186.4
[M+NH4]+	345.274793	196.3
[M+K]+	366.204128	184.1
[M+H-H2O]+	310.238230	176.2
[M+HCOO]-	372.239171	194.5
[M+CH3COO]-	386.254821	211.6
[M+Na-2H]-	348.215636	182.6
[M]+	327.24042142	180.9
[M]-	327.24151858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.