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

3
Annotation Hits: 1
References: 1184
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]+	127.03897	119.9
[M+Na]+	149.02091	128.7
[M-H]-	125.02441	124.4
[M+NH4]+	144.06551	142.5
[M+K]+	164.99485	129.7
[M+H-H2O]+	109.02895	115.0
[M+HCOO]-	171.02989	146.1
[M+CH3COO]-	185.04554	167.5
[M+Na-2H]-	147.00636	128.5
[M]+	126.03114	123.6
[M]-	126.03224	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe