CID 6485386

1-propyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCCN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-2-3-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11)

InChIKey

VLQMAVVBCYNBQC-UHFFFAOYSA-N

Compound name

1-propylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 11
Patents: 154.07423 Da
Monoisotopic Mass: 0.6
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	132.3
[M+Na]+	177.06345	142.7
[M+NH4]+	172.10805	138.9
[M+K]+	193.03739	140.1
[M-H]-	153.06695	131.1
[M+Na-2H]-	175.04890	136.4
[M]+	154.07368	133.0
[M]-	154.07478	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe