CID 676464

3-propyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CCCC1=CC(=NN1)C(=O)O

InChI

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

InChIKey

QYPSYPPSHXDFLV-UHFFFAOYSA-N

Compound name

5-propyl-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 143
Patents: 154.07423 Da
Monoisotopic Mass: 1.3
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	132.8
[M+Na]+	177.06345	142.6
[M+NH4]+	172.10805	139.0
[M+K]+	193.03739	140.4
[M-H]-	153.06695	131.0
[M+Na-2H]-	175.04890	136.3
[M]+	154.07368	133.3
[M]-	154.07478	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe