CID 74787848

7-ethynyl-2h,3h,4h-pyrido[3,2-b][1,4]oxazine

Structural Information

Molecular Formula
C9H8N2O
SMILES
C#CC1=CC2=C(NCCO2)N=C1
InChI
InChI=1S/C9H8N2O/c1-2-7-5-8-9(11-6-7)10-3-4-12-8/h1,5-6H,3-4H2,(H,10,11)
InChIKey
OUHMAMMFAXQDOT-UHFFFAOYSA-N
Compound name
7-ethynyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

160.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.0
[M+Na]+ 183.05288 140.0
[M-H]- 159.05638 128.6
[M+NH4]+ 178.09748 144.8
[M+K]+ 199.02682 135.4
[M+H-H2O]+ 143.06092 116.6
[M+HCOO]- 205.06186 141.4
[M+CH3COO]- 219.07751 140.6
[M+Na-2H]- 181.03833 137.7
[M]+ 160.06311 121.4
[M]- 160.06421 121.4
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