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

15
Patents

156.08987 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 133.7
[M+Na]+ 179.07909 143.3
[M+NH4]+ 174.12369 142.9
[M+K]+ 195.05303 138.7
[M-H]- 155.08259 134.4
[M+Na-2H]- 177.06454 137.0
[M]+ 156.08932 135.0
[M]- 156.09042 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe