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

48
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.1
[M+Na]+ 201.063448 145.8
[M-H]- 177.066954 137.6
[M+NH4]+ 196.108053 154.8
[M+K]+ 217.037388 144.0
[M+H-H2O]+ 161.071490 129.4
[M+HCOO]- 223.072431 153.3
[M+CH3COO]- 237.088081 177.3
[M+Na-2H]- 199.048896 145.5
[M]+ 178.07368142 135.0
[M]- 178.07477858 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