CID 7865

Methyl formate

Structural Information

Molecular Formula

C₂H₄O₂

SMILES

COC=O

InChI

InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3

InChIKey

TZIHFWKZFHZASV-UHFFFAOYSA-N

Compound name

methyl formate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 323
References: 112854
Patents: 60.02113 Da
Monoisotopic Mass: 0.0
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]+	61.028406	104.2
[M+Na]+	83.010348	113.4
[M-H]-	59.013854	105.2
[M+NH4]+	78.054953	129.2
[M+K]+	98.984288	114.7
[M+H-H2O]+	43.018390	100.6
[M+HCOO]-	105.01933	130.0
[M+CH3COO]-	119.03498	158.1
[M+Na-2H]-	80.995796	113.7
[M]+	60.020581	106.2
[M]-	60.021679	106.2

Literature stripe

literature stripe

Patent stripe

patents stripe