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 161.0
[M+Na]+ 287.12539 166.6
[M-H]- 263.12889 162.9
[M+NH4]+ 282.16999 176.8
[M+K]+ 303.09933 164.8
[M+H-H2O]+ 247.13343 155.0
[M+HCOO]- 309.13437 179.8
[M+CH3COO]- 323.15002 196.4
[M+Na-2H]- 285.11084 163.4
[M]+ 264.13562 164.3
[M]- 264.13672 164.3
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.