CID 21117568

Ns00088184

Structural Information

Molecular Formula
C16H24O5
SMILES
CC(C)(C)CC(C)(C)OC(=O)COOOC1=CC=CC=C1
InChI
InChI=1S/C16H24O5/c1-15(2,3)12-16(4,5)19-14(17)11-18-21-20-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKey
SCJDRDZZDZWVQL-UHFFFAOYSA-N
Compound name
2,4,4-trimethylpentan-2-yl 2-phenoxyperoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16238 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.169656 170.2
[M+Na]+ 319.151598 175.4
[M-H]- 295.155104 173.3
[M+NH4]+ 314.196203 185.6
[M+K]+ 335.125538 175.5
[M+H-H2O]+ 279.159640 163.9
[M+HCOO]- 341.160581 189.7
[M+CH3COO]- 355.176231 201.9
[M+Na-2H]- 317.137046 175.6
[M]+ 296.16183142 177.6
[M]- 296.16292858 177.6
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

No patent data available for this compound.