CID 122240699

4-ethynyl-1-(oxolan-3-yl)-1h-pyrazole

Structural Information

Molecular Formula
C9H10N2O
SMILES
C#CC1=CN(N=C1)C2CCOC2
InChI
InChI=1S/C9H10N2O/c1-2-8-5-10-11(6-8)9-3-4-12-7-9/h1,5-6,9H,3-4,7H2
InChIKey
FFPCJIBKBRBDNX-UHFFFAOYSA-N
Compound name
4-ethynyl-1-(oxolan-3-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 129.8
[M+Na]+ 185.06854 139.9
[M-H]- 161.07204 131.6
[M+NH4]+ 180.11314 147.2
[M+K]+ 201.04248 136.9
[M+H-H2O]+ 145.07658 115.7
[M+HCOO]- 207.07752 145.3
[M+CH3COO]- 221.09317 141.6
[M+Na-2H]- 183.05399 132.6
[M]+ 162.07877 123.1
[M]- 162.07987 123.1
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.