CID 155819433

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

Structural Information

Molecular Formula
C10H12N2
SMILES
CN1C(=C(C=N1)C#C)C2CCC2
InChI
InChI=1S/C10H12N2/c1-3-8-7-11-12(2)10(8)9-5-4-6-9/h1,7,9H,4-6H2,2H3
InChIKey
TXGQFKOEKYIULI-UHFFFAOYSA-N
Compound name
5-cyclobutyl-4-ethynyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.7
[M+Na]+ 183.08927 140.7
[M+NH4]+ 178.13387 134.3
[M+K]+ 199.06321 135.0
[M-H]- 159.09277 124.6
[M+Na-2H]- 181.07472 134.1
[M]+ 160.09950 129.7
[M]- 160.10060 129.7
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.