CID 45792526

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

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=NN2C=C(C=NC2=C1)C=O
InChI
InChI=1S/C8H7N3O/c1-6-2-8-9-3-7(5-12)4-11(8)10-6/h2-5H,1H3
InChIKey
MWUUUHFCGSTSDC-UHFFFAOYSA-N
Compound name
2-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 129.9
[M+Na]+ 184.04813 142.5
[M-H]- 160.05163 131.6
[M+NH4]+ 179.09273 150.1
[M+K]+ 200.02207 139.5
[M+H-H2O]+ 144.05617 122.5
[M+HCOO]- 206.05711 153.4
[M+CH3COO]- 220.07276 144.7
[M+Na-2H]- 182.03358 138.7
[M]+ 161.05836 133.6
[M]- 161.05946 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe