CID 101871127

B05yk2nn7h

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCCCC(C)(C)C(=O)OOC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C19H30O3/c1-6-7-8-12-15-18(2,3)17(20)21-22-19(4,5)16-13-10-9-11-14-16/h9-11,13-14H,6-8,12,15H2,1-5H3
InChIKey
NUIZZJWNNGJSGL-UHFFFAOYSA-N
Compound name
2-phenylpropan-2-yl 2,2-dimethyloctaneperoxoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3232
Patents

306.21948 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 178.0
[M+Na]+ 329.20870 182.0
[M-H]- 305.21220 180.5
[M+NH4]+ 324.25330 193.0
[M+K]+ 345.18264 180.1
[M+H-H2O]+ 289.21674 171.5
[M+HCOO]- 351.21768 196.0
[M+CH3COO]- 365.23333 207.5
[M+Na-2H]- 327.19415 181.4
[M]+ 306.21893 183.6
[M]- 306.22003 183.6
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