CID 170914728

7-bromo-6-methyl-5h-pyrrolo(3,2-d)pyrimidine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C(C2=NC=NC=C2N1)Br
InChI
InChI=1S/C7H6BrN3/c1-4-6(8)7-5(11-4)2-9-3-10-7/h2-3,11H,1H3
InChIKey
BGYPAFBDXWGNDL-UHFFFAOYSA-N
Compound name
7-bromo-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 139.5
[M+Na]+ 233.96372 144.3
[M+NH4]+ 229.00832 144.3
[M+K]+ 249.93766 145.3
[M-H]- 209.96722 138.8
[M+Na-2H]- 231.94917 143.0
[M]+ 210.97395 138.8
[M]- 210.97505 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.