CID 118847

35629-47-1

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CCCCNC(=O)NC1=NC=CO1

InChI

InChI=1S/C8H13N3O2/c1-2-3-4-9-7(12)11-8-10-5-6-13-8/h5-6H,2-4H2,1H3,(H2,9,10,11,12)

InChIKey

RXPBEGLIXKJVHJ-UHFFFAOYSA-N

Compound name

1-butyl-3-(1,3-oxazol-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10077 Da
Monoisotopic Mass: 0.9
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]+	184.10805	140.1
[M+Na]+	206.08999	146.1
[M-H]-	182.09349	142.9
[M+NH4]+	201.13459	158.4
[M+K]+	222.06393	146.2
[M+H-H2O]+	166.09803	132.7
[M+HCOO]-	228.09897	165.2
[M+CH3COO]-	242.11462	183.4
[M+Na-2H]-	204.07544	146.8
[M]+	183.10022	141.2
[M]-	183.10132	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe