CID 12299299

4-ethynyl-1,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C7H8N2
SMILES
CC1=C(C=NN1C)C#C
InChI
InChI=1S/C7H8N2/c1-4-7-5-8-9(3)6(7)2/h1,5H,2-3H3
InChIKey
VCFMZJNLWRPYMG-UHFFFAOYSA-N
Compound name
4-ethynyl-1,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

120.06875 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07603 122.8
[M+Na]+ 143.05797 135.3
[M+NH4]+ 138.10257 127.7
[M+K]+ 159.03191 128.0
[M-H]- 119.06147 115.6
[M+Na-2H]- 141.04342 126.1
[M]+ 120.06820 121.7
[M]- 120.06930 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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