CID 71757774

3-ethyl-5-methoxy-1-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCC1=NN(C(=C1C=O)OC)C
InChI
InChI=1S/C8H12N2O2/c1-4-7-6(5-11)8(12-3)10(2)9-7/h5H,4H2,1-3H3
InChIKey
HKBSTZGNBKPBKY-UHFFFAOYSA-N
Compound name
3-ethyl-5-methoxy-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.8
[M+Na]+ 191.07909 147.7
[M+NH4]+ 186.12369 142.7
[M+K]+ 207.05303 144.1
[M-H]- 167.08259 135.4
[M+Na-2H]- 189.06454 140.2
[M]+ 168.08932 137.1
[M]- 168.09042 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.