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

105
Patents

132.04225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 122.8
[M+Na]+ 155.03147 130.8
[M-H]- 131.03497 123.4
[M+NH4]+ 150.07607 144.8
[M+K]+ 171.00541 132.1
[M+H-H2O]+ 115.03951 118.3
[M+HCOO]- 177.04045 147.4
[M+CH3COO]- 191.05610 170.4
[M+Na-2H]- 153.01692 129.4
[M]+ 132.04170 127.5
[M]- 132.04280 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe