CID 7006657

3-(diethoxymethyl)furan

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(C1=COC=C1)OCC

InChI

InChI=1S/C9H14O3/c1-3-11-9(12-4-2)8-5-6-10-7-8/h5-7,9H,3-4H2,1-2H3

InChIKey

MTZMXGCDOYBCPN-UHFFFAOYSA-N

Compound name

3-(diethoxymethyl)furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 170.0943 Da
Monoisotopic Mass: 1.4
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]+	171.101576	136.4
[M+Na]+	193.083518	143.4
[M-H]-	169.087024	140.5
[M+NH4]+	188.128123	157.2
[M+K]+	209.057458	144.6
[M+H-H2O]+	153.091560	130.9
[M+HCOO]-	215.092501	160.4
[M+CH3COO]-	229.108151	178.2
[M+Na-2H]-	191.068966	142.0
[M]+	170.09375142	141.3
[M]-	170.09484858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe