CID 2776936

647824-51-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CC1=C(C(=NN1C(C)(C)C)C)C=O

InChI

InChI=1S/C10H16N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h6H,1-5H3

InChIKey

WQHXOHHEPNBXMF-UHFFFAOYSA-N

Compound name

1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 180.12627 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.13355	141.6
[M+Na]+	203.11549	153.3
[M+NH4]+	198.16009	148.6
[M+K]+	219.08943	150.0
[M-H]-	179.11899	141.1
[M+Na-2H]-	201.10094	145.9
[M]+	180.12572	143.0
[M]-	180.12682	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe