CID 122240803

1-cyclobutyl-4-ethynyl-1h-pyrazole

Structural Information

Molecular Formula
C9H10N2
SMILES
C#CC1=CN(N=C1)C2CCC2
InChI
InChI=1S/C9H10N2/c1-2-8-6-10-11(7-8)9-4-3-5-9/h1,6-7,9H,3-5H2
InChIKey
BAUGBXXKHKOJGQ-UHFFFAOYSA-N
Compound name
1-cyclobutyl-4-ethynylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 121.3
[M+Na]+ 169.07362 130.1
[M-H]- 145.07712 123.1
[M+NH4]+ 164.11822 133.5
[M+K]+ 185.04756 130.4
[M+H-H2O]+ 129.08166 103.8
[M+HCOO]- 191.08260 136.8
[M+CH3COO]- 205.09825 186.5
[M+Na-2H]- 167.05907 125.8
[M]+ 146.08385 122.4
[M]- 146.08495 122.4
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.