CID 61264723

3-tert-butyl-1-ethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H16N2O
SMILES
CCN1C=C(C(=N1)C(C)(C)C)C=O
InChI
InChI=1S/C10H16N2O/c1-5-12-6-8(7-13)9(11-12)10(2,3)4/h6-7H,5H2,1-4H3
InChIKey
KJKVVGGENBXUDG-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-ethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 141.7
[M+Na]+ 203.11549 153.0
[M+NH4]+ 198.16009 148.7
[M+K]+ 219.08943 149.5
[M-H]- 179.11899 141.1
[M+Na-2H]- 201.10094 146.2
[M]+ 180.12572 143.0
[M]- 180.12682 143.0
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.