CID 121642

30145-51-8

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

874
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 172.0
[M+Na]+ 335.14652 177.3
[M+NH4]+ 330.19112 179.0
[M+K]+ 351.12046 176.0
[M-H]- 311.15002 165.9
[M+Na-2H]- 333.13197 170.3
[M]+ 312.15675 170.4
[M]- 312.15785 170.4
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