CID 163312

Tetriprofen

Structural Information

Molecular Formula
C15H18O2
SMILES
CC(C1=CC=C(C=C1)C2=CCCCC2)C(=O)O
InChI
InChI=1S/C15H18O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h5,7-11H,2-4,6H2,1H3,(H,16,17)
InChIKey
CVBPQTZKZQWEFX-UHFFFAOYSA-N
Compound name
2-[4-(cyclohexen-1-yl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

230.13068 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 153.1
[M+Na]+ 253.11990 157.4
[M-H]- 229.12340 157.7
[M+NH4]+ 248.16450 169.8
[M+K]+ 269.09384 154.3
[M+H-H2O]+ 213.12794 146.2
[M+HCOO]- 275.12888 171.4
[M+CH3COO]- 289.14453 189.2
[M+Na-2H]- 251.10535 155.1
[M]+ 230.13013 149.1
[M]- 230.13123 149.1
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

patents stripe