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

0
Patents

229.96909 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 138.4
[M+Na]+ 252.95831 150.0
[M-H]- 228.96181 143.9
[M+NH4]+ 248.00291 156.0
[M+K]+ 268.93225 142.3
[M+H-H2O]+ 212.96635 137.6
[M+HCOO]- 274.96729 154.5
[M+CH3COO]- 288.98294 153.2
[M+Na-2H]- 250.94376 150.2
[M]+ 229.96854 157.7
[M]- 229.96964 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

No patent data available for this compound.