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

927
Patents

137.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 125.4
[M+Na]+ 160.048128 133.3
[M-H]- 136.051634 124.6
[M+NH4]+ 155.092733 141.7
[M+K]+ 176.022068 131.7
[M+H-H2O]+ 120.056170 117.4
[M+HCOO]- 182.057111 141.7
[M+CH3COO]- 196.072761 137.6
[M+Na-2H]- 158.033576 136.6
[M]+ 137.05836142 121.8
[M]- 137.05945858 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