CID 101031

Einecs 261-726-3

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(C)(C)CC(C)(C)OOC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C16H24O4/c1-15(2,3)12-16(4,5)20-19-14(17)11-18-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKey
WQXWDMWCSZQRFW-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 167.3
[M+Na]+ 303.15667 172.6
[M-H]- 279.16017 170.4
[M+NH4]+ 298.20127 183.4
[M+K]+ 319.13061 172.1
[M+H-H2O]+ 263.16471 161.2
[M+HCOO]- 325.16565 186.6
[M+CH3COO]- 339.18130 199.9
[M+Na-2H]- 301.14212 172.5
[M]+ 280.16690 173.2
[M]- 280.16800 173.2
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.