CID 122164541

2307758-10-5

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CN1C(=CC=N1)[C@H]2[C@@H](CCCO2)C=O
InChI
InChI=1S/C10H14N2O2/c1-12-9(4-5-11-12)10-8(7-13)3-2-6-14-10/h4-5,7-8,10H,2-3,6H2,1H3/t8-,10+/m0/s1
InChIKey
TXXSTIZMKHZDTD-WCBMZHEXSA-N
Compound name
(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.0
[M+Na]+ 217.09475 149.3
[M-H]- 193.09825 146.3
[M+NH4]+ 212.13935 159.1
[M+K]+ 233.06869 148.4
[M+H-H2O]+ 177.10279 134.2
[M+HCOO]- 239.10373 161.2
[M+CH3COO]- 253.11938 181.8
[M+Na-2H]- 215.08020 145.7
[M]+ 194.10498 140.6
[M]- 194.10608 140.6
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.