CID 9834528

(s)-(+)-2-methoxy-2-(1-naphthyl)propionic acid

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C[C@](C1=CC=CC2=CC=CC=C21)(C(=O)O)OC

InChI

InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)/t14-/m0/s1

InChIKey

YVWMPILNFZOQSZ-AWEZNQCLSA-N

Compound name

(2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 241
Patents: 230.0943 Da
Monoisotopic Mass: 2.9
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]+	231.10158	150.1
[M+Na]+	253.08352	157.6
[M-H]-	229.08702	153.4
[M+NH4]+	248.12812	168.5
[M+K]+	269.05746	154.9
[M+H-H2O]+	213.09156	144.4
[M+HCOO]-	275.09250	169.7
[M+CH3COO]-	289.10815	188.8
[M+Na-2H]-	251.06897	157.4
[M]+	230.09375	151.7
[M]-	230.09485	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe