CID 118845

Urea, 1-(2-oxazolyl)-3-propyl-

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCCNC(=O)NC1=NC=CO1

InChI

InChI=1S/C7H11N3O2/c1-2-3-8-6(11)10-7-9-4-5-12-7/h4-5H,2-3H2,1H3,(H2,8,9,10,11)

InChIKey

GHDPMHONBNZPGP-UHFFFAOYSA-N

Compound name

1-(1,3-oxazol-2-yl)-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.08513 Da
Monoisotopic Mass: 0.6
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]+	170.09241	135.5
[M+Na]+	192.07435	141.9
[M-H]-	168.07785	138.4
[M+NH4]+	187.11895	154.3
[M+K]+	208.04829	142.3
[M+H-H2O]+	152.08239	128.3
[M+HCOO]-	214.08333	160.9
[M+CH3COO]-	228.09898	180.4
[M+Na-2H]-	190.05980	142.7
[M]+	169.08458	136.2
[M]-	169.08568	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe