CID 104276778

3-ethyl-4-ethynyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C8H10N2
SMILES
CCC1=NN(C=C1C#C)C
InChI
InChI=1S/C8H10N2/c1-4-7-6-10(3)9-8(7)5-2/h1,6H,5H2,2-3H3
InChIKey
FHCQGVVYIZSQTD-UHFFFAOYSA-N
Compound name
3-ethyl-4-ethynyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 124.2
[M+Na]+ 157.073618 135.7
[M-H]- 133.077124 123.8
[M+NH4]+ 152.118223 143.1
[M+K]+ 173.047558 132.9
[M+H-H2O]+ 117.081660 111.3
[M+HCOO]- 179.082601 141.3
[M+CH3COO]- 193.098251 183.4
[M+Na-2H]- 155.059066 128.5
[M]+ 134.08385142 119.9
[M]- 134.08494858 119.9
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

No patent data available for this compound.