CID 16748396

89970-14-9

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC(=O)N1CCOC2=C1N=CC=C2
InChI
InChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3
InChIKey
WFIMERAIUXNFGL-UHFFFAOYSA-N
Compound name
1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.0
[M+Na]+ 201.06345 143.9
[M-H]- 177.06695 138.2
[M+NH4]+ 196.10805 153.0
[M+K]+ 217.03739 143.2
[M+H-H2O]+ 161.07149 128.4
[M+HCOO]- 223.07243 153.7
[M+CH3COO]- 237.08808 179.4
[M+Na-2H]- 199.04890 144.3
[M]+ 178.07368 135.3
[M]- 178.07478 135.3
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

patents stripe