CID 156498079

2287157-70-2

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CC(C)C(=O)CCCN(C)CCOC

InChI

InChI=1S/C11H23NO2/c1-10(2)11(13)6-5-7-12(3)8-9-14-4/h10H,5-9H2,1-4H3

InChIKey

UOKOUHXCDJDIAN-UHFFFAOYSA-N

Compound name

6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 201.17288 Da
Monoisotopic Mass: 1.2
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]+	202.18016	151.4
[M+Na]+	224.16210	155.8
[M-H]-	200.16560	152.4
[M+NH4]+	219.20670	171.0
[M+K]+	240.13604	156.8
[M+H-H2O]+	184.17014	145.4
[M+HCOO]-	246.17108	173.8
[M+CH3COO]-	260.18673	195.4
[M+Na-2H]-	222.14755	152.8
[M]+	201.17233	156.0
[M]-	201.17343	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe