CID 130058392

Methyl 2h,3h,4h-pyrido[3,2-b][1,4]oxazine-6-carboxylate

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=NC2=C(C=C1)OCCN2
InChI
InChI=1S/C9H10N2O3/c1-13-9(12)6-2-3-7-8(11-6)10-4-5-14-7/h2-3H,4-5H2,1H3,(H,10,11)
InChIKey
XDIWJTWEWPGKEC-UHFFFAOYSA-N
Compound name
methyl 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

194.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.5
[M+Na]+ 217.058358 146.9
[M-H]- 193.061864 140.3
[M+NH4]+ 212.102963 155.1
[M+K]+ 233.032298 145.8
[M+H-H2O]+ 177.066400 132.0
[M+HCOO]- 239.067341 155.8
[M+CH3COO]- 253.082991 179.0
[M+Na-2H]- 215.043806 147.4
[M]+ 194.06859142 138.4
[M]- 194.06968858 138.4
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