CID 3033006

Decanophenone, 2',5'-dimethoxy-

Structural Information

Molecular Formula

C₁₈H₂₈O₃

SMILES

CCCCCCCCCC(=O)C1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-11-17(19)16-14-15(20-2)12-13-18(16)21-3/h12-14H,4-11H2,1-3H3

InChIKey

WLCQFJVNKAFPHT-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxyphenyl)decan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 292.20386 Da
Monoisotopic Mass: 5.6
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]+	293.211136	173.0
[M+Na]+	315.193078	178.3
[M-H]-	291.196584	175.7
[M+NH4]+	310.237683	188.8
[M+K]+	331.167018	175.7
[M+H-H2O]+	275.201120	165.7
[M+HCOO]-	337.202061	194.4
[M+CH3COO]-	351.217711	206.7
[M+Na-2H]-	313.178526	173.7
[M]+	292.20331142	180.0
[M]-	292.20440858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe