CID 57441001

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

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CCC1=NN(C(=C1)C=O)C

InChI

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

InChIKey

UOGCZCWOHJGLSV-UHFFFAOYSA-N

Compound name

5-ethyl-2-methylpyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 138.07932 Da
Monoisotopic Mass: 0.9
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	126.4
[M+Na]+	161.06854	136.9
[M-H]-	137.07204	128.0
[M+NH4]+	156.11314	147.9
[M+K]+	177.04248	135.5
[M+H-H2O]+	121.07658	120.1
[M+HCOO]-	183.07752	150.2
[M+CH3COO]-	197.09317	174.2
[M+Na-2H]-	159.05399	131.9
[M]+	138.07877	128.9
[M]-	138.07987	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe