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

2266
Patents

261.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.2
[M+Na]+ 284.125718 163.7
[M-H]- 260.129224 164.6
[M+NH4]+ 279.170323 175.3
[M+K]+ 300.099658 160.9
[M+H-H2O]+ 244.133760 152.9
[M+HCOO]- 306.134701 178.4
[M+CH3COO]- 320.150351 196.5
[M+Na-2H]- 282.111166 160.9
[M]+ 261.13595142 155.1
[M]- 261.13704858 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.