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: 71
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]+	212.091736	144.5
[M+Na]+	234.073678	150.1
[M-H]-	210.077184	149.3
[M+NH4]+	229.118283	159.8
[M+K]+	250.047618	150.8
[M+H-H2O]+	194.081720	137.8
[M+HCOO]-	256.082661	162.0
[M+CH3COO]-	270.098311	180.7
[M+Na-2H]-	232.059126	148.5
[M]+	211.08391142	143.3
[M]-	211.08500858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe