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]+ 177.102236 133.4
[M+Na]+ 199.084178 142.4
[M-H]- 175.087684 134.8
[M+NH4]+ 194.128783 148.7
[M+K]+ 215.058118 138.9
[M+H-H2O]+ 159.092220 119.0
[M+HCOO]- 221.093161 146.7
[M+CH3COO]- 235.108811 144.2
[M+Na-2H]- 197.069626 137.2
[M]+ 176.09441142 125.0
[M]- 176.09550858 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.