CID 165602488

4-(bromomethyl)-6h,7h-[1,4]dioxino[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1COC2=NC=NC(=C2O1)CBr
InChI
InChI=1S/C7H7BrN2O2/c8-3-5-6-7(10-4-9-5)12-2-1-11-6/h4H,1-3H2
InChIKey
VGKPFHSOQOFICM-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.96909 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 138.4
[M+Na]+ 252.958308 150.0
[M-H]- 228.961814 143.9
[M+NH4]+ 248.002913 156.0
[M+K]+ 268.932248 142.3
[M+H-H2O]+ 212.966350 137.6
[M+HCOO]- 274.967291 154.5
[M+CH3COO]- 288.982941 153.2
[M+Na-2H]- 250.943756 150.2
[M]+ 229.96854142 157.7
[M]- 229.96963858 157.7
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