CID 53629150

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

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=NN2C=CC=NC2=C1C=O
InChI
InChI=1S/C8H7N3O/c1-6-7(5-12)8-9-3-2-4-11(8)10-6/h2-5H,1H3
InChIKey
IIQXEMUGZIFMOI-UHFFFAOYSA-N
Compound name
2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

161.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 130.7
[M+Na]+ 184.04813 145.4
[M+NH4]+ 179.09273 138.8
[M+K]+ 200.02207 140.7
[M-H]- 160.05163 131.3
[M+Na-2H]- 182.03358 137.8
[M]+ 161.05836 132.9
[M]- 161.05946 132.9
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