CID 3038935

Brn 2060127

Structural Information

Molecular Formula
C20H22O4
SMILES
CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H22O4/c1-14(2)23-19(22)20(3,4)24-17-12-10-16(11-13-17)18(21)15-8-6-5-7-9-15/h5-14H,1-4H3
InChIKey
RWYLZMUAGRBIDC-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(4-benzoylphenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.1518 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.159076 176.8
[M+Na]+ 349.141018 181.6
[M-H]- 325.144524 183.1
[M+NH4]+ 344.185623 190.3
[M+K]+ 365.114958 179.8
[M+H-H2O]+ 309.149060 169.0
[M+HCOO]- 371.150001 195.9
[M+CH3COO]- 385.165651 209.9
[M+Na-2H]- 347.126466 178.5
[M]+ 326.15125142 180.4
[M]- 326.15234858 180.4
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

patents stripe