CID 162345306

Ns00132840

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CC1C2=CN=C(N2C(=O)C(O1)C)C

InChI

InChI=1S/C9H12N2O2/c1-5-8-4-10-7(3)11(8)9(12)6(2)13-5/h4-6H,1-3H3

InChIKey

MCMIGANNYLVVES-UHFFFAOYSA-N

Compound name

3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.08987 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]+	181.097146	137.1
[M+Na]+	203.079088	148.0
[M-H]-	179.082594	140.3
[M+NH4]+	198.123693	156.9
[M+K]+	219.053028	146.9
[M+H-H2O]+	163.087130	131.0
[M+HCOO]-	225.088071	156.5
[M+CH3COO]-	239.103721	182.6
[M+Na-2H]-	201.064536	141.8
[M]+	180.08932142	139.1
[M]-	180.09041858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.