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
3
Annotation Hits

8
References

2268
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

literature stripe

Patent stripe

patents stripe