CID 88259

19812-60-3

Structural Information

Molecular Formula
C11H20O6
SMILES
C=CC(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C11H20O6/c1-2-11(13)17-10-9-16-8-7-15-6-5-14-4-3-12/h2,12H,1,3-10H2
InChIKey
QUASZQPLPKGIJY-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1507
Patents

248.12599 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13327 156.0
[M+Na]+ 271.11521 160.8
[M-H]- 247.11871 153.8
[M+NH4]+ 266.15981 172.3
[M+K]+ 287.08915 160.6
[M+H-H2O]+ 231.12325 149.8
[M+HCOO]- 293.12419 177.4
[M+CH3COO]- 307.13984 190.0
[M+Na-2H]- 269.10066 158.9
[M]+ 248.12544 163.9
[M]- 248.12654 163.9
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