CID 49757472

6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C8H5BrN4
SMILES
CC1=NN2C=C(C=NC2=C1C#N)Br
InChI
InChI=1S/C8H5BrN4/c1-5-7(2-10)8-11-3-6(9)4-13(8)12-5/h3-4H,1H3
InChIKey
GQYKYYUHNQGMLE-UHFFFAOYSA-N
Compound name
6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

235.96976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97704 135.1
[M+Na]+ 258.95898 151.9
[M-H]- 234.96248 137.0
[M+NH4]+ 254.00358 153.6
[M+K]+ 274.93292 139.8
[M+H-H2O]+ 218.96702 126.8
[M+HCOO]- 280.96796 154.3
[M+CH3COO]- 294.98361 149.2
[M+Na-2H]- 256.94443 143.4
[M]+ 235.96921 149.3
[M]- 235.97031 149.3
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