CID 122240724

4-ethynyl-1-[(oxolan-2-yl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H12N2O
SMILES
C#CC1=CN(N=C1)CC2CCCO2
InChI
InChI=1S/C10H12N2O/c1-2-9-6-11-12(7-9)8-10-4-3-5-13-10/h1,6-7,10H,3-5,8H2
InChIKey
ATYYHGCYHAURLP-UHFFFAOYSA-N
Compound name
4-ethynyl-1-(oxolan-2-ylmethyl)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 133.8
[M+Na]+ 199.08418 143.5
[M-H]- 175.08768 135.4
[M+NH4]+ 194.12878 150.7
[M+K]+ 215.05812 140.2
[M+H-H2O]+ 159.09222 119.5
[M+HCOO]- 221.09316 149.0
[M+CH3COO]- 235.10881 145.2
[M+Na-2H]- 197.06963 136.1
[M]+ 176.09441 127.4
[M]- 176.09551 127.4
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.