CID 18685155

2168066-53-1

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CC12CNCCN1C(=O)OC2

InChI

InChI=1S/C7H12N2O2/c1-7-4-8-2-3-9(7)6(10)11-5-7/h8H,2-5H2,1H3

InChIKey

DCWDUMDMCQTTCY-UHFFFAOYSA-N

Compound name

8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 156.08987 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]+	157.09715	132.0
[M+Na]+	179.07909	139.3
[M-H]-	155.08259	132.5
[M+NH4]+	174.12369	152.9
[M+K]+	195.05303	138.5
[M+H-H2O]+	139.08713	126.0
[M+HCOO]-	201.08807	147.6
[M+CH3COO]-	215.10372	170.8
[M+Na-2H]-	177.06454	138.3
[M]+	156.08932	127.6
[M]-	156.09042	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe