CID 132342224

2138157-80-7

Structural Information

Molecular Formula
C15H20O4
SMILES
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C15H20O4/c1-14(2,3)19-13(18)15(4,5)11-8-6-10(7-9-11)12(16)17/h6-9H,1-5H3,(H,16,17)
InChIKey
CTWFWIJVFABQCE-UHFFFAOYSA-N
Compound name
4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 160.8
[M+Na]+ 287.12539 170.2
[M+NH4]+ 282.16999 166.1
[M+K]+ 303.09933 167.5
[M-H]- 263.12889 159.3
[M+Na-2H]- 285.11084 164.4
[M]+ 264.13562 161.5
[M]- 264.13672 161.5
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.