CID 595524

13678-51-8

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC1=CC=C(O1)CC2=CC=CO2

InChI

InChI=1S/C10H10O2/c1-8-4-5-10(12-8)7-9-3-2-6-11-9/h2-6H,7H2,1H3

InChIKey

LWHDEDPRANCGFI-UHFFFAOYSA-N

Compound name

2-(furan-2-ylmethyl)-5-methylfuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 162.06808 Da
Monoisotopic Mass: 2.4
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]+	163.075356	129.8
[M+Na]+	185.057298	140.1
[M-H]-	161.060804	138.8
[M+NH4]+	180.101903	151.7
[M+K]+	201.031238	140.5
[M+H-H2O]+	145.065340	125.3
[M+HCOO]-	207.066281	157.0
[M+CH3COO]-	221.081931	146.1
[M+Na-2H]-	183.042746	137.1
[M]+	162.06753142	135.0
[M]-	162.06862858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe