CID 68756

Ximoprofen

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C1=CC=C(C=C1)C2CCCC(=NO)C2)C(=O)O
InChI
InChI=1S/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)
InChIKey
IQPPOXSMSDPZKU-UHFFFAOYSA-N
Compound name
2-[4-(3-hydroxyiminocyclohexyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2245
Patents

261.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.2
[M+Na]+ 284.12572 163.7
[M-H]- 260.12922 164.6
[M+NH4]+ 279.17032 175.3
[M+K]+ 300.09966 160.9
[M+H-H2O]+ 244.13376 152.9
[M+HCOO]- 306.13470 178.4
[M+CH3COO]- 320.15035 196.5
[M+Na-2H]- 282.11117 160.9
[M]+ 261.13595 155.1
[M]- 261.13705 155.1
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.