CID 44152428

Ec 420-060-5

Structural Information

Molecular Formula
C32H54O6
SMILES
CC(C)(C)CCCCCC(=O)OOC(C)(C)C1=CC(=CC=C1)C(C)(C)OOC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/C32H54O6/c1-29(2,3)22-15-11-13-20-27(33)35-37-31(7,8)25-18-17-19-26(24-25)32(9,10)38-36-28(34)21-14-12-16-23-30(4,5)6/h17-19,24H,11-16,20-23H2,1-10H3
InChIKey
HVJBZXQRUXFOHC-UHFFFAOYSA-N
Compound name
2-[3-[2-(7,7-dimethyloctanoylperoxy)propan-2-yl]phenyl]propan-2-yl 7,7-dimethyloctaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

534.392 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.39928 242.8
[M+Na]+ 557.38122 247.8
[M+NH4]+ 552.42582 224.5
[M+K]+ 573.35516 253.2
[M-H]- 533.38472 210.6
[M+Na-2H]- 555.36667 236.5
[M]+ 534.39145 244.4
[M]- 534.39255 244.4
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

No patent data available for this compound.