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]+ 327.15908 176.8
[M+Na]+ 349.14102 181.6
[M-H]- 325.14452 183.1
[M+NH4]+ 344.18562 190.3
[M+K]+ 365.11496 179.8
[M+H-H2O]+ 309.14906 169.0
[M+HCOO]- 371.15000 195.9
[M+CH3COO]- 385.16565 209.9
[M+Na-2H]- 347.12647 178.5
[M]+ 326.15125 180.4
[M]- 326.15235 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