CID 4137803

143269-99-2

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

C1COCCN1CC2=C(C=CC(=C2)C(=O)O)O

InChI

InChI=1S/C12H15NO4/c14-11-2-1-9(12(15)16)7-10(11)8-13-3-5-17-6-4-13/h1-2,7,14H,3-6,8H2,(H,15,16)

InChIKey

FKOLPZLYCMWJNH-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(morpholin-4-ylmethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 237.10011 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]+	238.10739	152.7
[M+Na]+	260.08933	163.9
[M+NH4]+	255.13393	159.1
[M+K]+	276.06327	159.6
[M-H]-	236.09283	155.4
[M+Na-2H]-	258.07478	157.3
[M]+	237.09956	154.8
[M]-	237.10066	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe