CID 118844

35629-44-8

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCNC(=O)NC1=NC=CO1

InChI

InChI=1S/C6H9N3O2/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)

InChIKey

CCHMTZLZEZOPMO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 155.06947 Da
Monoisotopic Mass: 0.0
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]+	156.07675	130.9
[M+Na]+	178.05869	137.7
[M-H]-	154.06219	134.0
[M+NH4]+	173.10329	150.2
[M+K]+	194.03263	138.3
[M+H-H2O]+	138.06673	123.8
[M+HCOO]-	200.06767	156.6
[M+CH3COO]-	214.08332	177.4
[M+Na-2H]-	176.04414	138.6
[M]+	155.06892	131.2
[M]-	155.07002	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe