CID 89853986

1469286-29-0

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=NN(C=C1)C2(CC2)C(=O)O

InChI

InChI=1S/C8H10N2O2/c1-6-2-5-10(9-6)8(3-4-8)7(11)12/h2,5H,3-4H2,1H3,(H,11,12)

InChIKey

ZMEUATMXMOEEKK-UHFFFAOYSA-N

Compound name

1-(3-methylpyrazol-1-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 166.07423 Da
Monoisotopic Mass: 0.7
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]+	167.08151	139.2
[M+Na]+	189.06345	151.4
[M+NH4]+	184.10805	148.2
[M+K]+	205.03739	148.1
[M-H]-	165.06695	146.5
[M+Na-2H]-	187.04890	148.2
[M]+	166.07368	144.0
[M]-	166.07478	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe