CID 74787848

7-ethynyl-3,4-dihydro-2h-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

39
Patents

160.06366 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.0
[M+Na]+ 183.052878 140.0
[M-H]- 159.056384 128.6
[M+NH4]+ 178.097483 144.8
[M+K]+ 199.026818 135.4
[M+H-H2O]+ 143.060920 116.6
[M+HCOO]- 205.061861 141.4
[M+CH3COO]- 219.077511 140.6
[M+Na-2H]- 181.038326 137.7
[M]+ 160.06311142 121.4
[M]- 160.06420858 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