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 212.7
[M+Na]+ 557.38122 219.9
[M-H]- 533.38472 212.3
[M+NH4]+ 552.42582 223.1
[M+K]+ 573.35516 220.9
[M+H-H2O]+ 517.38926 209.4
[M+HCOO]- 579.39020 230.4
[M+CH3COO]- 593.40585 251.3
[M+Na-2H]- 555.36667 203.2
[M]+ 534.39145 220.9
[M]- 534.39255 220.9
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.