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

1
Patents

162.07932 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 129.8
[M+Na]+ 185.068538 139.9
[M-H]- 161.072044 131.6
[M+NH4]+ 180.113143 147.2
[M+K]+ 201.042478 136.9
[M+H-H2O]+ 145.076580 115.7
[M+HCOO]- 207.077521 145.3
[M+CH3COO]- 221.093171 141.6
[M+Na-2H]- 183.053986 132.6
[M]+ 162.07877142 123.1
[M]- 162.07986858 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

patents stripe