CID 4128060

94120-00-0

Structural Information

Molecular Formula
C15H24O6
SMILES
CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C
InChI
InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3
InChIKey
LJRSZGKUUZPHEB-UHFFFAOYSA-N
Compound name
2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

5915
Patents

300.1573 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16458 171.1
[M+Na]+ 323.14652 174.7
[M-H]- 299.15002 170.2
[M+NH4]+ 318.19112 185.9
[M+K]+ 339.12046 175.2
[M+H-H2O]+ 283.15456 165.0
[M+HCOO]- 345.15550 189.4
[M+CH3COO]- 359.17115 205.5
[M+Na-2H]- 321.13197 167.8
[M]+ 300.15675 178.5
[M]- 300.15785 178.5
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