CID 122477

1,2-ethanediol, acetate formate

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

CC(=O)OCCOC=O

InChI

InChI=1S/C5H8O4/c1-5(7)9-3-2-8-4-6/h4H,2-3H2,1H3

InChIKey

LFGXUAPUBQKJIQ-UHFFFAOYSA-N

Compound name

2-formyloxyethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 132.04225 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]+	133.04953	124.7
[M+Na]+	155.03147	134.3
[M+NH4]+	150.07607	131.2
[M+K]+	171.00541	130.3
[M-H]-	131.03497	122.5
[M+Na-2H]-	153.01692	127.6
[M]+	132.04170	125.0
[M]-	132.04280	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe