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

27
Patents

238.96942 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 145.5
[M+Na]+ 261.95864 150.5
[M+NH4]+ 257.00324 149.7
[M+K]+ 277.93258 151.6
[M-H]- 237.96214 144.6
[M+Na-2H]- 259.94409 148.5
[M]+ 238.96887 144.7
[M]- 238.96997 144.7
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