CID 129628919

Naproxen al

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

C[C@@H](C1=C(C2=C(C=C1)C=C(C=C2)OC)C=O)C(=O)O

InChI

InChI=1S/C15H14O4/c1-9(15(17)18)12-5-3-10-7-11(19-2)4-6-13(10)14(12)8-16/h3-9H,1-2H3,(H,17,18)/t9-/m0/s1

InChIKey

HSNUBZCOIFCCGB-VIFPVBQESA-N

Compound name

(2S)-2-(1-formyl-6-methoxynaphthalen-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0892 Da
Monoisotopic Mass: 2.6
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]+	259.096476	155.3
[M+Na]+	281.078418	163.5
[M-H]-	257.081924	158.9
[M+NH4]+	276.123023	172.7
[M+K]+	297.052358	160.8
[M+H-H2O]+	241.086460	149.1
[M+HCOO]-	303.087401	175.4
[M+CH3COO]-	317.103051	196.2
[M+Na-2H]-	279.063866	158.7
[M]+	258.08865142	158.5
[M]-	258.08974858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.