CID 17906937

345582-90-3

Structural Information

Molecular Formula

C₈H₁₀ClN₃O

SMILES

CC(C)NC(=O)C1=NN=C(C=C1)Cl

InChI

InChI=1S/C8H10ClN3O/c1-5(2)10-8(13)6-3-4-7(9)12-11-6/h3-5H,1-2H3,(H,10,13)

InChIKey

JGUWMBLELLRUNP-UHFFFAOYSA-N

Compound name

6-chloro-N-propan-2-ylpyridazine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 199.05124 Da
Monoisotopic Mass: 1.2
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]+	200.05852	140.3
[M+Na]+	222.04046	152.8
[M+NH4]+	217.08506	147.6
[M+K]+	238.01440	147.2
[M-H]-	198.04396	141.1
[M+Na-2H]-	220.02591	146.7
[M]+	199.05069	142.4
[M]-	199.05179	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe