CID 17096149

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

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
CC1=NN2C=C(C=NC2=C1C=O)Br
InChI
InChI=1S/C8H6BrN3O/c1-5-7(4-13)8-10-2-6(9)3-12(8)11-5/h2-4H,1H3
InChIKey
UBHLLXKKUAITTO-UHFFFAOYSA-N
Compound name
6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

238.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.976696 138.5
[M+Na]+ 261.958638 154.7
[M-H]- 237.962144 143.3
[M+NH4]+ 257.003243 159.6
[M+K]+ 277.932578 143.5
[M+H-H2O]+ 221.966680 138.0
[M+HCOO]- 283.967621 159.8
[M+CH3COO]- 297.983271 154.8
[M+Na-2H]- 259.944086 147.7
[M]+ 238.96887142 161.0
[M]- 238.96996858 161.0
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