CID 19619885

1-isopropyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(C)N1C=CC(=N1)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-5(2)9-4-3-6(8-9)7(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

NZOZNIDXTXBUDN-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 154.07423 Da
Monoisotopic Mass: 0.8
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	132.2
[M+Na]+	177.06345	142.3
[M+NH4]+	172.10805	138.7
[M+K]+	193.03739	140.6
[M-H]-	153.06695	130.8
[M+Na-2H]-	175.04890	136.0
[M]+	154.07368	132.9
[M]-	154.07478	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe