CID 163714

102999-49-5

Structural Information

Molecular Formula

C₈H₁₂ClN₃

SMILES

CC(C)(C)C1=CC(=NN=C1Cl)N

InChI

InChI=1S/C8H12ClN3/c1-8(2,3)5-4-6(10)11-12-7(5)9/h4H,1-3H3,(H2,10,11)

InChIKey

UIVYORZQSCCOCJ-UHFFFAOYSA-N

Compound name

5-tert-butyl-6-chloropyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 185.07198 Da
Monoisotopic Mass: 2.1
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]+	186.079256	140.2
[M+Na]+	208.061198	150.4
[M-H]-	184.064704	141.2
[M+NH4]+	203.105803	158.4
[M+K]+	224.035138	146.5
[M+H-H2O]+	168.069240	134.2
[M+HCOO]-	230.070181	156.6
[M+CH3COO]-	244.085831	183.6
[M+Na-2H]-	206.046646	146.9
[M]+	185.07143142	141.0
[M]-	185.07252858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe