CID 24693890

1-(2-hydroxyethyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC1=C(C(=NN1CCO)C)C=O
InChI
InChI=1S/C8H12N2O2/c1-6-8(5-12)7(2)10(9-6)3-4-11/h5,11H,3-4H2,1-2H3
InChIKey
SRKILWHHZYRBAS-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 136.4
[M+Na]+ 191.07909 147.7
[M+NH4]+ 186.12369 142.9
[M+K]+ 207.05303 144.4
[M-H]- 167.08259 135.4
[M+Na-2H]- 189.06454 140.1
[M]+ 168.08932 137.4
[M]- 168.09042 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.