CID 3042582

60012-94-4

Structural Information

Molecular Formula
C17H22O4
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2CCCCC2
InChI
InChI=1S/C17H22O4/c1-17(2,16(19)20)21-14-10-8-13(9-11-14)15(18)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,19,20)
InChIKey
PNVGPUQJIOROST-UHFFFAOYSA-N
Compound name
2-[4-(cyclohexanecarbonyl)phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1518 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15908 167.5
[M+Na]+ 313.14102 177.0
[M+NH4]+ 308.18562 173.8
[M+K]+ 329.11496 172.7
[M-H]- 289.14452 168.9
[M+Na-2H]- 311.12647 172.3
[M]+ 290.15125 169.0
[M]- 290.15235 169.0
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.