CID 135742607

6-bromopteridin-4-ol

Structural Information

Molecular Formula
C6H3BrN4O
SMILES
C1=C(N=C2C(=O)NC=NC2=N1)Br
InChI
InChI=1S/C6H3BrN4O/c7-3-1-8-5-4(11-3)6(12)10-2-9-5/h1-2H,(H,8,9,10,12)
InChIKey
VAASAUPOXFKTLB-UHFFFAOYSA-N
Compound name
6-bromo-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.94902 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.95630 132.9
[M+Na]+ 248.93824 147.5
[M-H]- 224.94174 134.5
[M+NH4]+ 243.98284 150.2
[M+K]+ 264.91218 135.4
[M+H-H2O]+ 208.94628 131.9
[M+HCOO]- 270.94722 149.9
[M+CH3COO]- 284.96287 147.5
[M+Na-2H]- 246.92369 145.1
[M]+ 225.94847 151.0
[M]- 225.94957 151.0
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