CID 61793346

1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H10N4O
SMILES
CN1C=C(C=N1)C2=NN(C=C2C=O)C
InChI
InChI=1S/C9H10N4O/c1-12-4-7(3-10-12)9-8(6-14)5-13(2)11-9/h3-6H,1-2H3
InChIKey
KSHGWOUWVYASPS-UHFFFAOYSA-N
Compound name
1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 138.1
[M+Na]+ 213.07468 150.7
[M-H]- 189.07818 141.2
[M+NH4]+ 208.11928 156.4
[M+K]+ 229.04862 147.9
[M+H-H2O]+ 173.08272 129.6
[M+HCOO]- 235.08366 162.1
[M+CH3COO]- 249.09931 182.9
[M+Na-2H]- 211.06013 142.0
[M]+ 190.08491 142.4
[M]- 190.08601 142.4
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.