CID 139595590

Spiroxamine-hydroxy

Structural Information

Molecular Formula

C₁₈H₃₅NO₃

SMILES

CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)CO

InChI

InChI=1S/C18H35NO3/c1-5-11-19(6-2)12-16-13-21-18(22-16)9-7-15(8-10-18)17(3,4)14-20/h15-16,20H,5-14H2,1-4H3

InChIKey

JLEFKVLKRJJUGQ-UHFFFAOYSA-N

Compound name

2-[3-[[ethyl(propyl)amino]methyl]-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 313.2617 Da
Monoisotopic Mass: 3.0
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]+	314.268976	180.0
[M+Na]+	336.250918	181.5
[M-H]-	312.254424	184.9
[M+NH4]+	331.295523	195.6
[M+K]+	352.224858	182.1
[M+H-H2O]+	296.258960	174.5
[M+HCOO]-	358.259901	193.6
[M+CH3COO]-	372.275551	209.3
[M+Na-2H]-	334.236366	181.9
[M]+	313.26115142	179.3
[M]-	313.26224858	179.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.