CID 4179659

26577-57-1

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1COCCN1C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C12H15NO3/c14-12(15)9-10-1-3-11(4-2-10)13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)

InChIKey

JCUCSMGLJLRTMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 221.1052 Da
Monoisotopic Mass: 0.8
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]+	222.11248	149.5
[M+Na]+	244.09442	161.4
[M+NH4]+	239.13902	156.9
[M+K]+	260.06836	156.0
[M-H]-	220.09792	153.2
[M+Na-2H]-	242.07987	155.4
[M]+	221.10465	152.0
[M]-	221.10575	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe