CID 99195

1,1-dimethyl-3-furfurylurea

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CN(C)C(=O)NCC1=CC=CO1

InChI

InChI=1S/C8H12N2O2/c1-10(2)8(11)9-6-7-4-3-5-12-7/h3-5H,6H2,1-2H3,(H,9,11)

InChIKey

OBWYFVTZRZQKNQ-UHFFFAOYSA-N

Compound name

3-(furan-2-ylmethyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.08987 Da
Monoisotopic Mass: 0.1
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]+	169.09715	137.0
[M+Na]+	191.07909	143.2
[M-H]-	167.08259	142.8
[M+NH4]+	186.12369	157.9
[M+K]+	207.05303	144.8
[M+H-H2O]+	151.08713	130.6
[M+HCOO]-	213.08807	163.8
[M+CH3COO]-	227.10372	184.2
[M+Na-2H]-	189.06454	142.9
[M]+	168.08932	138.9
[M]-	168.09042	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe