CID 104621789

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

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=C2N=CC(=CN2N=C1)C=O
InChI
InChI=1S/C8H7N3O/c1-6-2-10-11-4-7(5-12)3-9-8(6)11/h2-5H,1H3
InChIKey
UZTNTZMYXUISIC-UHFFFAOYSA-N
Compound name
3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 129.9
[M+Na]+ 184.048128 142.5
[M-H]- 160.051634 131.6
[M+NH4]+ 179.092733 150.1
[M+K]+ 200.022068 139.5
[M+H-H2O]+ 144.056170 122.5
[M+HCOO]- 206.057111 153.4
[M+CH3COO]- 220.072761 144.7
[M+Na-2H]- 182.033576 138.7
[M]+ 161.05836142 133.6
[M]- 161.05945858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.