CID 155821915

5-ethynyl-1-(oxan-4-yl)-1h-pyrazole

Structural Information

Molecular Formula
C10H12N2O
SMILES
C#CC1=CC=NN1C2CCOCC2
InChI
InChI=1S/C10H12N2O/c1-2-9-3-6-11-12(9)10-4-7-13-8-5-10/h1,3,6,10H,4-5,7-8H2
InChIKey
BBKLQXVCXDNLRX-UHFFFAOYSA-N
Compound name
5-ethynyl-1-(oxan-4-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 133.4
[M+Na]+ 199.08418 142.4
[M-H]- 175.08768 134.8
[M+NH4]+ 194.12878 148.7
[M+K]+ 215.05812 138.9
[M+H-H2O]+ 159.09222 119.0
[M+HCOO]- 221.09316 146.7
[M+CH3COO]- 235.10881 144.2
[M+Na-2H]- 197.06963 137.2
[M]+ 176.09441 125.0
[M]- 176.09551 125.0
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.