CID 21961536

1h,2h,3h-pyrido[3,4-b][1,4]oxazine hydrochloride

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1COC2=C(N1)C=CN=C2
InChI
InChI=1S/C7H8N2O/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,5,9H,3-4H2
InChIKey
AMSFZNPHLRKOIB-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

136.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.6
[M+Na]+ 159.052878 132.0
[M-H]- 135.056384 125.2
[M+NH4]+ 154.097483 142.5
[M+K]+ 175.026818 130.5
[M+H-H2O]+ 119.060920 117.5
[M+HCOO]- 181.061861 142.1
[M+CH3COO]- 195.077511 137.3
[M+Na-2H]- 157.038326 135.5
[M]+ 136.06311142 120.9
[M]- 136.06420858 120.9
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