CID 65561565

840488-85-9

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O

SMILES

C1CC1CCNC(=O)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C10H12ClN3O/c11-9-4-3-8(13-14-9)10(15)12-6-5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,12,15)

InChIKey

ZNOCYNRWXAYNOU-UHFFFAOYSA-N

Compound name

6-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 225.0669 Da
Monoisotopic Mass: 1.9
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]+	226.07418	150.6
[M+Na]+	248.05612	160.0
[M-H]-	224.05962	154.9
[M+NH4]+	243.10072	161.8
[M+K]+	264.03006	154.6
[M+H-H2O]+	208.06416	142.5
[M+HCOO]-	270.06510	168.7
[M+CH3COO]-	284.08075	192.2
[M+Na-2H]-	246.04157	156.2
[M]+	225.06635	154.2
[M]-	225.06745	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe