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

2
Annotation Hits: 0
References: 104
Patents: 230.13068 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.137956	153.1
[M+Na]+	253.119898	157.4
[M-H]-	229.123404	157.7
[M+NH4]+	248.164503	169.8
[M+K]+	269.093838	154.3
[M+H-H2O]+	213.127940	146.2
[M+HCOO]-	275.128881	171.4
[M+CH3COO]-	289.144531	189.2
[M+Na-2H]-	251.105346	155.1
[M]+	230.13013142	149.1
[M]-	230.13122858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe