CID 6917762

Falintololum

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

C/C(=N\OCC(CNC(C)(C)C)O)/C1CC1

InChI

InChI=1S/C12H24N2O2/c1-9(10-5-6-10)14-16-8-11(15)7-13-12(2,3)4/h10-11,13,15H,5-8H2,1-4H3/b14-9+

InChIKey

IYQDIWRBEQWANY-NTEUORMPSA-N

Compound name

1-(tert-butylamino)-3-[(E)-1-cyclopropylethylideneamino]oxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 86
Patents: 228.18378 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]+	229.191056	153.4
[M+Na]+	251.172998	158.8
[M-H]-	227.176504	157.4
[M+NH4]+	246.217603	166.4
[M+K]+	267.146938	156.8
[M+H-H2O]+	211.181040	147.2
[M+HCOO]-	273.181981	175.0
[M+CH3COO]-	287.197631	199.8
[M+Na-2H]-	249.158446	157.0
[M]+	228.18323142	157.0
[M]-	228.18432858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.