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

13
Patents

178.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 135.8
[M+Na]+ 201.063448 144.8
[M-H]- 177.066954 138.2
[M+NH4]+ 196.108053 153.1
[M+K]+ 217.037388 143.6
[M+H-H2O]+ 161.071490 128.2
[M+HCOO]- 223.072431 154.4
[M+CH3COO]- 237.088081 180.3
[M+Na-2H]- 199.048896 144.5
[M]+ 178.07368142 136.1
[M]- 178.07477858 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