CID 136329515

3-bromo-5-methyl-4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CC1CCN2C(=C(C=N2)Br)N1
InChI
InChI=1S/C7H10BrN3/c1-5-2-3-11-7(10-5)6(8)4-9-11/h4-5,10H,2-3H2,1H3
InChIKey
OGSYRKYAMHTWJK-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01309 144.7
[M+Na]+ 237.99503 147.1
[M+NH4]+ 233.03963 149.3
[M+K]+ 253.96897 148.5
[M-H]- 213.99853 143.5
[M+Na-2H]- 235.98048 145.7
[M]+ 215.00526 143.3
[M]- 215.00636 143.3
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.

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No patent data available for this compound.