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]+ 191.092736 138.1
[M+Na]+ 213.074678 150.7
[M-H]- 189.078184 141.2
[M+NH4]+ 208.119283 156.4
[M+K]+ 229.048618 147.9
[M+H-H2O]+ 173.082720 129.6
[M+HCOO]- 235.083661 162.1
[M+CH3COO]- 249.099311 182.9
[M+Na-2H]- 211.060126 142.0
[M]+ 190.08491142 142.4
[M]- 190.08600858 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.