CID 66509540

5-cyclopropyl-4-ethynyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C9H10N2
SMILES
CN1C(=C(C=N1)C#C)C2CC2
InChI
InChI=1S/C9H10N2/c1-3-7-6-10-11(2)9(7)8-4-5-8/h1,6,8H,4-5H2,2H3
InChIKey
HBXABDPKJRKRFK-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-ethynyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 132.6
[M+Na]+ 169.07362 146.0
[M+NH4]+ 164.11822 138.2
[M+K]+ 185.04756 139.7
[M-H]- 145.07712 133.0
[M+Na-2H]- 167.05907 138.6
[M]+ 146.08385 134.8
[M]- 146.08495 134.8
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.