CID 3038943

Brn 1989805

Structural Information

Molecular Formula
C16H22O4
SMILES
CC1=C(C=CC(=C1)OC(C)(C)C(=O)OC(C)C)C(=O)C
InChI
InChI=1S/C16H22O4/c1-10(2)19-15(18)16(5,6)20-13-7-8-14(12(4)17)11(3)9-13/h7-10H,1-6H3
InChIKey
VAPQMGZMBAXUHM-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(4-acetyl-3-methylphenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1518 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 162.9
[M+Na]+ 301.14102 169.3
[M-H]- 277.14452 166.6
[M+NH4]+ 296.18562 179.3
[M+K]+ 317.11496 168.9
[M+H-H2O]+ 261.14906 157.1
[M+HCOO]- 323.15000 182.0
[M+CH3COO]- 337.16565 203.4
[M+Na-2H]- 299.12647 163.6
[M]+ 278.15125 168.2
[M]- 278.15235 168.2
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.