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]+ 162.06619 129.3
[M+Na]+ 184.04813 139.1
[M-H]- 160.05163 129.1
[M+NH4]+ 179.09273 144.3
[M+K]+ 200.02207 135.5
[M+H-H2O]+ 144.05617 115.3
[M+HCOO]- 206.05711 143.2
[M+CH3COO]- 220.07276 140.2
[M+Na-2H]- 182.03358 138.2
[M]+ 161.05836 121.3
[M]- 161.05946 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.