CID 118946492

1887195-89-2

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1CC1C2=CC(=NN=C2)C(=O)O

InChI

InChI=1S/C8H8N2O2/c11-8(12)7-3-6(4-9-10-7)5-1-2-5/h3-5H,1-2H2,(H,11,12)

InChIKey

GFZPRBUSSIXTOC-UHFFFAOYSA-N

Compound name

5-cyclopropylpyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 164.05858 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]+	165.06586	136.8
[M+Na]+	187.04780	150.7
[M+NH4]+	182.09240	144.7
[M+K]+	203.02174	146.9
[M-H]-	163.05130	144.9
[M+Na-2H]-	185.03325	146.1
[M]+	164.05803	142.0
[M]-	164.05913	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe