CID 4616638

2-[2-[(2-ethylhexyl)oxy]ethoxy]ethyl 2-propenoate

Structural Information

Molecular Formula
C15H28O4
SMILES
CCCCC(CC)COCCOCCOC(=O)C=C
InChI
InChI=1S/C15H28O4/c1-4-7-8-14(5-2)13-18-10-9-17-11-12-19-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKey
XNMJQRPYVCIXGZ-UHFFFAOYSA-N
Compound name
2-[2-(2-ethylhexoxy)ethoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

931
Patents

272.19876 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 169.8
[M+Na]+ 295.187978 173.5
[M-H]- 271.191484 168.6
[M+NH4]+ 290.232583 186.1
[M+K]+ 311.161918 172.5
[M+H-H2O]+ 255.196020 163.4
[M+HCOO]- 317.196961 190.1
[M+CH3COO]- 331.212611 201.3
[M+Na-2H]- 293.173426 169.7
[M]+ 272.19821142 177.6
[M]- 272.19930858 177.6
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