CID 21115651

Ns00048119

Structural Information

Molecular Formula
C12H16O5
SMILES
CC(C)(C)OC(=O)COOOC1=CC=CC=C1
InChI
InChI=1S/C12H16O5/c1-12(2,3)15-11(13)9-14-17-16-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
IFBOEHZIJLSXLY-UHFFFAOYSA-N
Compound name
tert-butyl 2-phenoxyperoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09978 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.107056 152.4
[M+Na]+ 263.088998 158.9
[M-H]- 239.092504 155.9
[M+NH4]+ 258.133603 169.9
[M+K]+ 279.062938 159.3
[M+H-H2O]+ 223.097040 146.1
[M+HCOO]- 285.097981 174.8
[M+CH3COO]- 299.113631 189.5
[M+Na-2H]- 261.074446 158.8
[M]+ 240.09923142 158.7
[M]- 240.10032858 158.7
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.