CID 125454589

{2-bromo-5h,6h,8h-imidazo[2,1-c][1,4]oxazin-3-yl}methanol

Structural Information

Molecular Formula
C7H9BrN2O2
SMILES
C1COCC2=NC(=C(N21)CO)Br
InChI
InChI=1S/C7H9BrN2O2/c8-7-5(3-11)10-1-2-12-4-6(10)9-7/h11H,1-4H2
InChIKey
WKRWBCONKGIOQJ-UHFFFAOYSA-N
Compound name
(2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.98474 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.99202 141.9
[M+Na]+ 254.97396 153.9
[M-H]- 230.97746 145.9
[M+NH4]+ 250.01856 162.0
[M+K]+ 270.94790 144.6
[M+H-H2O]+ 214.98200 141.8
[M+HCOO]- 276.98294 158.2
[M+CH3COO]- 290.99859 156.4
[M+Na-2H]- 252.95941 149.3
[M]+ 231.98419 159.9
[M]- 231.98529 159.9
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.