CID 6484271

1158389-90-2

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1COCCN1CC2=CC=CC=C2C(=O)O

InChI

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

InChIKey

SSEVULBAGRUOPS-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 460
Patents: 221.1052 Da
Monoisotopic Mass: -1.4
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]+	222.112476	148.9
[M+Na]+	244.094418	153.7
[M-H]-	220.097924	152.7
[M+NH4]+	239.139023	163.2
[M+K]+	260.068358	152.4
[M+H-H2O]+	204.102460	141.0
[M+HCOO]-	266.103401	165.7
[M+CH3COO]-	280.119051	184.5
[M+Na-2H]-	242.079866	153.5
[M]+	221.10465142	145.6
[M]-	221.10574858	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe