CID 69356590

26586-58-3

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

CC(C1=CC=C(C=C1)N2CCOCC2)C(=O)O

InChI

InChI=1S/C13H17NO3/c1-10(13(15)16)11-2-4-12(5-3-11)14-6-8-17-9-7-14/h2-5,10H,6-9H2,1H3,(H,15,16)

InChIKey

CXXWXJPZIAMXET-UHFFFAOYSA-N

Compound name

2-(4-morpholin-4-ylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 235.12085 Da
Monoisotopic Mass: 1.7
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]+	236.128126	153.5
[M+Na]+	258.110068	157.6
[M-H]-	234.113574	157.2
[M+NH4]+	253.154673	167.2
[M+K]+	274.084008	156.6
[M+H-H2O]+	218.118110	145.6
[M+HCOO]-	280.119051	169.0
[M+CH3COO]-	294.134701	188.4
[M+Na-2H]-	256.095516	156.4
[M]+	235.12030142	149.9
[M]-	235.12139858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe