CID 88501

20348-21-4

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1(C(=O)NC2=C(O1)C=CC=N2)C
InChI
InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)
InChIKey
DMLNXUUGRSBBBR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.1
[M+Na]+ 201.06345 145.8
[M-H]- 177.06695 137.6
[M+NH4]+ 196.10805 154.8
[M+K]+ 217.03739 144.0
[M+H-H2O]+ 161.07149 129.4
[M+HCOO]- 223.07243 153.3
[M+CH3COO]- 237.08808 177.3
[M+Na-2H]- 199.04890 145.5
[M]+ 178.07368 135.0
[M]- 178.07478 135.0
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