CID 556916

Furfuryl formate

Structural Information

Molecular Formula

C₆H₆O₃

SMILES

C1=COC(=C1)COC=O

InChI

InChI=1S/C6H6O3/c7-5-8-4-6-2-1-3-9-6/h1-3,5H,4H2

InChIKey

FPRQARNPKWVCNI-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1161
Patents: 126.03169 Da
Monoisotopic Mass: 0.7
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]+	127.038966	119.9
[M+Na]+	149.020908	128.7
[M-H]-	125.024414	124.4
[M+NH4]+	144.065513	142.5
[M+K]+	164.994848	129.7
[M+H-H2O]+	109.028950	115.0
[M+HCOO]-	171.029891	146.1
[M+CH3COO]-	185.045541	167.5
[M+Na-2H]-	147.006356	128.5
[M]+	126.03114142	123.6
[M]-	126.03223858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe