CID 84731613

1-(oxolan-3-yl)-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1COCC1N2C(=CC=N2)C=O
InChI
InChI=1S/C8H10N2O2/c11-5-7-1-3-9-10(7)8-2-4-12-6-8/h1,3,5,8H,2,4,6H2
InChIKey
WXQKGTVOIGZDIN-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.6
[M+Na]+ 189.06345 140.6
[M-H]- 165.06695 137.3
[M+NH4]+ 184.10805 152.4
[M+K]+ 205.03739 140.6
[M+H-H2O]+ 149.07149 125.5
[M+HCOO]- 211.07243 154.7
[M+CH3COO]- 225.08808 174.7
[M+Na-2H]- 187.04890 136.6
[M]+ 166.07368 132.4
[M]- 166.07478 132.4
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.