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: 110
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]+	133.049526	122.8
[M+Na]+	155.031468	130.8
[M-H]-	131.034974	123.4
[M+NH4]+	150.076073	144.8
[M+K]+	171.005408	132.1
[M+H-H2O]+	115.039510	118.3
[M+HCOO]-	177.040451	147.4
[M+CH3COO]-	191.056101	170.4
[M+Na-2H]-	153.016916	129.4
[M]+	132.04170142	127.5
[M]-	132.04279858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe