CID 134690689

Rac-(2r,3r)-2-(1-ethyl-1h-pyrazol-4-yl)oxane-3-carbaldehyde

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCN1C=C(C=N1)[C@@H]2[C@@H](CCCO2)C=O
InChI
InChI=1S/C11H16N2O2/c1-2-13-7-10(6-12-13)11-9(8-14)4-3-5-15-11/h6-9,11H,2-5H2,1H3/t9-,11-/m0/s1
InChIKey
HQGFWHZRZTYHGL-ONGXEEELSA-N
Compound name
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.5
[M+Na]+ 231.11041 159.0
[M+NH4]+ 226.15501 154.9
[M+K]+ 247.08435 155.1
[M-H]- 207.11391 150.6
[M+Na-2H]- 229.09586 152.4
[M]+ 208.12064 149.8
[M]- 208.12174 149.8
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.