CID 573204

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

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CCN1C(=C(C=N1)C=O)C

InChI

InChI=1S/C7H10N2O/c1-3-9-6(2)7(5-10)4-8-9/h4-5H,3H2,1-2H3

InChIKey

BVTRLDWWMDFELV-UHFFFAOYSA-N

Compound name

1-ethyl-5-methylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 138.07932 Da
Monoisotopic Mass: 0.4
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]+	139.08660	128.3
[M+Na]+	161.06854	140.5
[M+NH4]+	156.11314	136.0
[M+K]+	177.04248	136.4
[M-H]-	137.07204	128.4
[M+Na-2H]-	159.05399	133.7
[M]+	138.07877	129.9
[M]-	138.07987	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe