CID 3038930

42019-02-3

Structural Information

Molecular Formula
C15H20O4
SMILES
CCCCC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)O
InChI
InChI=1S/C15H20O4/c1-4-5-6-13(16)11-7-9-12(10-8-11)19-15(2,3)14(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKey
FUQHQAUWZCDTDI-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-pentanoylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 161.3
[M+Na]+ 287.12539 171.1
[M+NH4]+ 282.16999 166.9
[M+K]+ 303.09933 167.0
[M-H]- 263.12889 160.4
[M+Na-2H]- 285.11084 164.9
[M]+ 264.13562 162.2
[M]- 264.13672 162.2
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.