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]+ 279.159076 162.9
[M+Na]+ 301.141018 169.3
[M-H]- 277.144524 166.6
[M+NH4]+ 296.185623 179.3
[M+K]+ 317.114958 168.9
[M+H-H2O]+ 261.149060 157.1
[M+HCOO]- 323.150001 182.0
[M+CH3COO]- 337.165651 203.4
[M+Na-2H]- 299.126466 163.6
[M]+ 278.15125142 168.2
[M]- 278.15234858 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.