CID 74976

2-(2-hydroxyethoxy)ethyl acetate

Structural Information

Molecular Formula
C6H12O4
SMILES
CC(=O)OCCOCCO
InChI
InChI=1S/C6H12O4/c1-6(8)10-5-4-9-3-2-7/h7H,2-5H2,1H3
InChIKey
XXXFZKQPYACQLD-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16708
Patents

148.07356 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 130.2
[M+Na]+ 171.06278 139.1
[M+NH4]+ 166.10738 136.5
[M+K]+ 187.03672 135.2
[M-H]- 147.06628 127.7
[M+Na-2H]- 169.04823 132.4
[M]+ 148.07301 130.3
[M]- 148.07411 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe