CID 83823744

1782219-56-0

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
CC1CNC2=C(O1)C=C(C=N2)Br
InChI
InChI=1S/C8H9BrN2O/c1-5-3-10-8-7(12-5)2-6(9)4-11-8/h2,4-5H,3H2,1H3,(H,10,11)
InChIKey
XRKWDVFUXUFUQD-UHFFFAOYSA-N
Compound name
7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 140.5
[M+Na]+ 250.97904 152.1
[M-H]- 226.98254 144.3
[M+NH4]+ 246.02364 159.0
[M+K]+ 266.95298 141.8
[M+H-H2O]+ 210.98708 140.0
[M+HCOO]- 272.98802 155.5
[M+CH3COO]- 287.00367 154.5
[M+Na-2H]- 248.96449 150.0
[M]+ 227.98927 156.8
[M]- 227.99037 156.8
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

No patent data available for this compound.