CID 122164208

1969288-49-0

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCN1C(=CC=N1)[C@H]2[C@@H](CCCO2)C=O
InChI
InChI=1S/C11H16N2O2/c1-2-13-10(5-6-12-13)11-9(8-14)4-3-7-15-11/h5-6,8-9,11H,2-4,7H2,1H3/t9-,11+/m0/s1
InChIKey
AOEVZGBNFRUFMW-GXSJLCMTSA-N
Compound name
(2R,3R)-2-(2-ethylpyrazol-3-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 146.6
[M+Na]+ 231.11041 153.5
[M-H]- 207.11391 150.7
[M+NH4]+ 226.15501 163.1
[M+K]+ 247.08435 152.3
[M+H-H2O]+ 191.11845 138.6
[M+HCOO]- 253.11939 165.4
[M+CH3COO]- 267.13504 184.8
[M+Na-2H]- 229.09586 149.8
[M]+ 208.12064 145.6
[M]- 208.12174 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.