CID 34415

6-methoxy-2-hexanone

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(=O)CCCCOC

InChI

InChI=1S/C7H14O2/c1-7(8)5-3-4-6-9-2/h3-6H2,1-2H3

InChIKey

BBFYIMIWUNYAAX-UHFFFAOYSA-N

Compound name

6-methoxyhexan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 287
Patents: 130.09938 Da
Monoisotopic Mass: 0.4
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]+	131.106656	128.1
[M+Na]+	153.088598	135.1
[M-H]-	129.092104	128.4
[M+NH4]+	148.133203	150.4
[M+K]+	169.062538	135.4
[M+H-H2O]+	113.096640	123.6
[M+HCOO]-	175.097581	151.4
[M+CH3COO]-	189.113231	174.1
[M+Na-2H]-	151.074046	133.6
[M]+	130.09883142	131.4
[M]-	130.09992858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe