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]+ 216.013086 139.8
[M+Na]+ 237.995028 152.1
[M-H]- 213.998534 142.0
[M+NH4]+ 233.039633 160.6
[M+K]+ 253.968968 140.9
[M+H-H2O]+ 198.003070 139.3
[M+HCOO]- 260.004011 155.5
[M+CH3COO]- 274.019661 153.9
[M+Na-2H]- 235.980476 146.5
[M]+ 215.00526142 155.1
[M]- 215.00635858 155.1
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.