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]+ 230.028726 144.4
[M+Na]+ 252.010668 157.2
[M-H]- 228.014174 146.8
[M+NH4]+ 247.055273 165.0
[M+K]+ 267.984608 145.6
[M+H-H2O]+ 212.018710 143.9
[M+HCOO]- 274.019651 159.8
[M+CH3COO]- 288.035301 158.4
[M+Na-2H]- 249.996116 149.9
[M]+ 229.02090142 160.4
[M]- 229.02199858 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.