CID 580530

26095-36-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₄

SMILES

C1COCCN1CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C10H13NO4/c12-10(13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2,(H,12,13)

InChIKey

NTMWPNLDMTVPBO-UHFFFAOYSA-N

Compound name

5-(morpholin-4-ylmethyl)furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 65
Patents: 211.08446 Da
Monoisotopic Mass: -1.9
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]+	212.09174	145.2
[M+Na]+	234.07368	155.3
[M+NH4]+	229.11828	151.9
[M+K]+	250.04762	153.7
[M-H]-	210.07718	148.8
[M+Na-2H]-	232.05913	148.8
[M]+	211.08391	147.3
[M]-	211.08501	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe