CID 8025

Ethyl formate

Structural Information

Molecular Formula

C₃H₆O₂

SMILES

CCOC=O

InChI

InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3

InChIKey

WBJINCZRORDGAQ-UHFFFAOYSA-N

Compound name

ethyl formate

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 219
References: 102549
Patents: 74.03678 Da
Monoisotopic Mass: 0.5
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]+	75.044056	108.9
[M+Na]+	97.025998	117.7
[M-H]-	73.029504	109.8
[M+NH4]+	92.070603	133.4
[M+K]+	112.99994	118.8
[M+H-H2O]+	57.034040	105.1
[M+HCOO]-	119.03498	134.4
[M+CH3COO]-	133.05063	161.2
[M+Na-2H]-	95.011446	117.8
[M]+	74.036231	111.3
[M]-	74.037329	111.3

Literature stripe

literature stripe

Patent stripe

patents stripe