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 138.5
[M+Na]+ 261.95864 154.7
[M-H]- 237.96214 143.3
[M+NH4]+ 257.00324 159.6
[M+K]+ 277.93258 143.5
[M+H-H2O]+ 221.96668 138.0
[M+HCOO]- 283.96762 159.8
[M+CH3COO]- 297.98327 154.8
[M+Na-2H]- 259.94409 147.7
[M]+ 238.96887 161.0
[M]- 238.96997 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