CID 460737

127692-22-2

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CCCCC1(CN2C=C(N=C2O1)[N+](=O)[O-])C

InChI

InChI=1S/C10H15N3O3/c1-3-4-5-10(2)7-12-6-8(13(14)15)11-9(12)16-10/h6H,3-5,7H2,1-2H3

InChIKey

YPLGANYGSFFJHZ-UHFFFAOYSA-N

Compound name

2-butyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.11134 Da
Monoisotopic Mass: 2.2
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]+	226.11862	148.6
[M+Na]+	248.10056	156.8
[M-H]-	224.10406	151.6
[M+NH4]+	243.14516	168.7
[M+K]+	264.07450	152.3
[M+H-H2O]+	208.10860	147.3
[M+HCOO]-	270.10954	170.5
[M+CH3COO]-	284.12519	183.2
[M+Na-2H]-	246.08601	155.9
[M]+	225.11079	150.2
[M]-	225.11189	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe