CID 24229647

3,4-dihydro-4-methyl-2h-pyrido[3,2-b][1,4]oxazine-7-carboxaldehyde

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CN1CCOC2=C1N=CC(=C2)C=O
InChI
InChI=1S/C9H10N2O2/c1-11-2-3-13-8-4-7(6-12)5-10-9(8)11/h4-6H,2-3H2,1H3
InChIKey
CVHLHSUUCRUZHB-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.8
[M+Na]+ 201.06345 144.8
[M-H]- 177.06695 138.2
[M+NH4]+ 196.10805 153.1
[M+K]+ 217.03739 143.6
[M+H-H2O]+ 161.07149 128.2
[M+HCOO]- 223.07243 154.4
[M+CH3COO]- 237.08808 180.3
[M+Na-2H]- 199.04890 144.5
[M]+ 178.07368 136.1
[M]- 178.07478 136.1
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