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: 20
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]+	157.097146	132.0
[M+Na]+	179.079088	139.3
[M-H]-	155.082594	132.5
[M+NH4]+	174.123693	152.9
[M+K]+	195.053028	138.5
[M+H-H2O]+	139.087130	126.0
[M+HCOO]-	201.088071	147.6
[M+CH3COO]-	215.103721	170.8
[M+Na-2H]-	177.064536	138.3
[M]+	156.08932142	127.6
[M]-	156.09041858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe