CID 121642

2-propenoic acid, 3-(2,2-dimethyl-1-oxo-3-((1-oxo-2-propen-1-yl)oxy)propoxy)-2,2-dimethylpropyl ester

Structural Information

Molecular Formula
C16H24O6
SMILES
CC(C)(COC(=O)C=C)COC(=O)C(C)(C)COC(=O)C=C
InChI
InChI=1S/C16H24O6/c1-7-12(17)20-9-15(3,4)10-22-14(19)16(5,6)11-21-13(18)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKey
ICCCRCJXHNMZPJ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-prop-2-enoyloxypropyl) 2,2-dimethyl-3-prop-2-enoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

898
Patents

312.1573 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16458 170.7
[M+Na]+ 335.14652 175.5
[M-H]- 311.15002 170.3
[M+NH4]+ 330.19112 182.0
[M+K]+ 351.12046 175.2
[M+H-H2O]+ 295.15456 165.9
[M+HCOO]- 357.15550 188.1
[M+CH3COO]- 371.17115 205.8
[M+Na-2H]- 333.13197 171.9
[M]+ 312.15675 178.1
[M]- 312.15785 178.1
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