CID 3023505

2-methylbutan-2-yl 2-phenoxyperoxyacetate

Structural Information

Molecular Formula
C13H18O5
SMILES
CCC(C)(C)OC(=O)COOOC1=CC=CC=C1
InChI
InChI=1S/C13H18O5/c1-4-13(2,3)16-12(14)10-15-18-17-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKey
LGUGSTVMHDFVRO-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl 2-phenoxyperoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.122696 156.9
[M+Na]+ 277.104638 162.8
[M-H]- 253.108144 160.1
[M+NH4]+ 272.149243 173.7
[M+K]+ 293.078578 163.0
[M+H-H2O]+ 237.112680 150.4
[M+HCOO]- 299.113621 178.9
[M+CH3COO]- 313.129271 193.1
[M+Na-2H]- 275.090086 162.7
[M]+ 254.11487142 163.7
[M]- 254.11596858 163.7
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.