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]+ 209.128466 146.6
[M+Na]+ 231.110408 153.5
[M-H]- 207.113914 150.7
[M+NH4]+ 226.155013 163.1
[M+K]+ 247.084348 152.3
[M+H-H2O]+ 191.118450 138.6
[M+HCOO]- 253.119391 165.4
[M+CH3COO]- 267.135041 184.8
[M+Na-2H]- 229.095856 149.8
[M]+ 208.12064142 145.6
[M]- 208.12173858 145.6
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.