CID 1526575

55807-55-1

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCNC(=O)NC1=NOC(=C1)C

InChI

InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)

InChIKey

OLTOJZGRSVNYRB-UHFFFAOYSA-N

Compound name

1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 169.08513 Da
Monoisotopic Mass: 0.5
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	136.2
[M+Na]+	192.07435	145.2
[M+NH4]+	187.11895	142.8
[M+K]+	208.04829	143.2
[M-H]-	168.07785	138.1
[M+Na-2H]-	190.05980	140.2
[M]+	169.08458	137.6
[M]-	169.08568	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe