CID 21961505

2h,3h,4h-pyrazino[2,3-b][1,4]oxazine

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1COC2=NC=CN=C2N1
InChI
InChI=1S/C6H7N3O/c1-2-9-6-5(7-1)8-3-4-10-6/h1-2H,3-4H2,(H,7,8)
InChIKey
NDTSIDOTKVWMRI-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrazino[2,3-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

938
Patents

137.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.4
[M+Na]+ 160.04813 133.3
[M-H]- 136.05163 124.6
[M+NH4]+ 155.09273 141.7
[M+K]+ 176.02207 131.7
[M+H-H2O]+ 120.05617 117.4
[M+HCOO]- 182.05711 141.7
[M+CH3COO]- 196.07276 137.6
[M+Na-2H]- 158.03358 136.6
[M]+ 137.05836 121.8
[M]- 137.05946 121.8
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