CID 136329534

1781773-41-8

Structural Information

Molecular Formula
C8H12BrN3
SMILES
CC1CNC2=C(C(=NN2C1)C)Br
InChI
InChI=1S/C8H12BrN3/c1-5-3-10-8-7(9)6(2)11-12(8)4-5/h5,10H,3-4H2,1-2H3
InChIKey
BYVPKQLNDWCNDS-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.02145 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02873 144.4
[M+Na]+ 252.01067 157.2
[M-H]- 228.01417 146.8
[M+NH4]+ 247.05527 165.0
[M+K]+ 267.98461 145.6
[M+H-H2O]+ 212.01871 143.9
[M+HCOO]- 274.01965 159.8
[M+CH3COO]- 288.03530 158.4
[M+Na-2H]- 249.99612 149.9
[M]+ 229.02090 160.4
[M]- 229.02200 160.4
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.