CID 19967594

5-ethyl-1-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCC1=CC(=NN1C)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-3-5-4-6(7(10)11)8-9(5)2/h4H,3H2,1-2H3,(H,10,11)

InChIKey

UXDZNQXVCFIDJL-UHFFFAOYSA-N

Compound name

5-ethyl-1-methylpyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 154.07423 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]+	155.08151	132.1
[M+Na]+	177.06345	142.9
[M+NH4]+	172.10805	138.7
[M+K]+	193.03739	140.5
[M-H]-	153.06695	130.9
[M+Na-2H]-	175.04890	136.0
[M]+	154.07368	133.0
[M]-	154.07478	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe