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

12
Patents

194.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.5
[M+Na]+ 217.05836 146.9
[M-H]- 193.06186 140.3
[M+NH4]+ 212.10296 155.1
[M+K]+ 233.03230 145.8
[M+H-H2O]+ 177.06640 132.0
[M+HCOO]- 239.06734 155.8
[M+CH3COO]- 253.08299 179.0
[M+Na-2H]- 215.04381 147.4
[M]+ 194.06859 138.4
[M]- 194.06969 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