CID 23381567

2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=CC=C(O1)C(=O)C(C)(C)C

InChI

InChI=1S/C10H14O2/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5-6H,1-4H3

InChIKey

UOKYXYGDGAXKJT-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 166.09938 Da
Monoisotopic Mass: 2.8
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]+	167.106656	134.9
[M+Na]+	189.088598	143.4
[M-H]-	165.092104	139.7
[M+NH4]+	184.133203	156.5
[M+K]+	205.062538	143.7
[M+H-H2O]+	149.096640	130.7
[M+HCOO]-	211.097581	157.1
[M+CH3COO]-	225.113231	179.2
[M+Na-2H]-	187.074046	140.4
[M]+	166.09883142	137.9
[M]-	166.09992858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe