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
2
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]+ 281.174726 167.3
[M+Na]+ 303.156668 172.6
[M-H]- 279.160174 170.4
[M+NH4]+ 298.201273 183.4
[M+K]+ 319.130608 172.1
[M+H-H2O]+ 263.164710 161.2
[M+HCOO]- 325.165651 186.6
[M+CH3COO]- 339.181301 199.9
[M+Na-2H]- 301.142116 172.5
[M]+ 280.16690142 173.2
[M]- 280.16799858 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.