CID 105100370

1-methyl-5-(1-methyl-1h-pyrazole-5-carbonyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H10N4O
SMILES
CN1C(=CC=N1)C(=O)C2=CC=NN2C
InChI
InChI=1S/C9H10N4O/c1-12-7(3-5-10-12)9(14)8-4-6-11-13(8)2/h3-6H,1-2H3
InChIKey
RSEBZFKHMOONCZ-UHFFFAOYSA-N
Compound name
bis(2-methylpyrazol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.08546 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 138.3
[M+Na]+ 213.07468 149.7
[M-H]- 189.07818 141.3
[M+NH4]+ 208.11928 156.3
[M+K]+ 229.04862 147.4
[M+H-H2O]+ 173.08272 129.6
[M+HCOO]- 235.08366 161.4
[M+CH3COO]- 249.09931 182.6
[M+Na-2H]- 211.06013 141.8
[M]+ 190.08491 141.6
[M]- 190.08601 141.6
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

patents stripe