CID 12415135

1-methyl-4-(1-methyl-1h-pyrazole-4-carbonyl)-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.2
[M+Na]+ 213.07468 152.0
[M+NH4]+ 208.11928 145.7
[M+K]+ 229.04862 150.8
[M-H]- 189.07818 139.6
[M+Na-2H]- 211.06013 146.2
[M]+ 190.08491 140.9
[M]- 190.08601 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.