CID 3047744

Mexoprofen

Structural Information

Molecular Formula
C16H22O2
SMILES
C[C@@H]1CCCC[C@H]1C2=CC=C(C=C2)C(C)C(=O)O
InChI
InChI=1S/C16H22O2/c1-11-5-3-4-6-15(11)14-9-7-13(8-10-14)12(2)16(17)18/h7-12,15H,3-6H2,1-2H3,(H,17,18)/t11-,12?,15-/m1/s1
InChIKey
DXKIKFNSKJTQBC-KKXIITGPSA-N
Compound name
2-[4-[(1R,2R)-2-methylcyclohexyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

246.16199 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16927 158.6
[M+Na]+ 269.15121 162.4
[M-H]- 245.15471 163.0
[M+NH4]+ 264.19581 174.9
[M+K]+ 285.12515 159.3
[M+H-H2O]+ 229.15925 151.8
[M+HCOO]- 291.16019 175.1
[M+CH3COO]- 305.17584 193.8
[M+Na-2H]- 267.13666 158.4
[M]+ 246.16144 153.9
[M]- 246.16254 153.9
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.