CID 46318224

2,3-dihydro-1h-pyrido[3,4-b][1,4]oxazine-8-carbonitrile

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1COC2=C(N1)C(=CN=C2)C#N
InChI
InChI=1S/C8H7N3O/c9-3-6-4-10-5-7-8(6)11-1-2-12-7/h4-5,11H,1-2H2
InChIKey
DVJWNFFEBFNWIU-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 129.3
[M+Na]+ 184.048128 139.1
[M-H]- 160.051634 129.1
[M+NH4]+ 179.092733 144.3
[M+K]+ 200.022068 135.5
[M+H-H2O]+ 144.056170 115.3
[M+HCOO]- 206.057111 143.2
[M+CH3COO]- 220.072761 140.2
[M+Na-2H]- 182.033576 138.2
[M]+ 161.05836142 121.3
[M]- 161.05945858 121.3
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

No patent data available for this compound.