CID 587724

[(furan-2-yl)methyl]urea

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1=COC(=C1)CNC(=O)N

InChI

InChI=1S/C6H8N2O2/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)

InChIKey

AUHRREWMYVOMRT-UHFFFAOYSA-N

Compound name

furan-2-ylmethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 107
Patents: 140.05858 Da
Monoisotopic Mass: -0.4
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]+	141.065856	127.0
[M+Na]+	163.047798	133.8
[M-H]-	139.051304	130.9
[M+NH4]+	158.092403	147.9
[M+K]+	179.021738	134.0
[M+H-H2O]+	123.055840	121.0
[M+HCOO]-	185.056781	153.3
[M+CH3COO]-	199.072431	174.7
[M+Na-2H]-	161.033246	133.7
[M]+	140.05803142	125.9
[M]-	140.05912858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe