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 159.3
[M+Na]+ 287.12539 165.6
[M-H]- 263.12889 161.7
[M+NH4]+ 282.16999 175.5
[M+K]+ 303.09933 164.4
[M+H-H2O]+ 247.13343 154.3
[M+HCOO]- 309.13437 176.7
[M+CH3COO]- 323.15002 195.5
[M+Na-2H]- 285.11084 162.9
[M]+ 264.13562 162.0
[M]- 264.13672 162.0
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.