CID 60457

2-hydroxyethyl naproxenate

Structural Information

Molecular Formula

C₁₆H₁₈O₄

SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCO

InChI

InChI=1S/C16H18O4/c1-11(16(18)20-8-7-17)12-3-4-14-10-15(19-2)6-5-13(14)9-12/h3-6,9-11,17H,7-8H2,1-2H3

InChIKey

NYYKRAQUHNVACN-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 274.1205 Da
Monoisotopic Mass: 2.5
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]+	275.127776	162.4
[M+Na]+	297.109718	169.0
[M-H]-	273.113224	165.4
[M+NH4]+	292.154323	179.0
[M+K]+	313.083658	166.6
[M+H-H2O]+	257.117760	155.6
[M+HCOO]-	319.118701	181.9
[M+CH3COO]-	333.134351	198.0
[M+Na-2H]-	295.095166	165.8
[M]+	274.11995142	166.2
[M]-	274.12104858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe