CID 2776561

2-(morpholin-4-yl)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1COCCN1C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)

InChIKey

XUBUJTVBAXQIKG-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 296
Patents: 207.08954 Da
Monoisotopic Mass: 1.2
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]+	208.09682	144.3
[M+Na]+	230.07876	149.5
[M-H]-	206.08226	148.3
[M+NH4]+	225.12336	159.2
[M+K]+	246.05270	148.4
[M+H-H2O]+	190.08680	136.6
[M+HCOO]-	252.08774	161.4
[M+CH3COO]-	266.10339	181.4
[M+Na-2H]-	228.06421	149.4
[M]+	207.08899	140.6
[M]-	207.09009	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe