CID 61713731

Bis-(5-methyl-furan-2-yl)-methanone

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CC1=CC=C(O1)C(=O)C2=CC=C(O2)C

InChI

InChI=1S/C11H10O3/c1-7-3-5-9(13-7)11(12)10-6-4-8(2)14-10/h3-6H,1-2H3

InChIKey

LZUHTHMSVAOAKS-UHFFFAOYSA-N

Compound name

bis(5-methylfuran-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.06299 Da
Monoisotopic Mass: 2.9
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]+	191.070266	137.1
[M+Na]+	213.052208	147.7
[M-H]-	189.055714	146.5
[M+NH4]+	208.096813	158.0
[M+K]+	229.026148	148.3
[M+H-H2O]+	173.060250	132.7
[M+HCOO]-	235.061191	163.4
[M+CH3COO]-	249.076841	181.6
[M+Na-2H]-	211.037656	142.0
[M]+	190.06244142	143.2
[M]-	190.06353858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe