CID 3227143

6-chloro-n-(cyclohexylmethyl)pyridazin-3-amine

Structural Information

Molecular Formula
C11H16ClN3
SMILES
C1CCC(CC1)CNC2=NN=C(C=C2)Cl
InChI
InChI=1S/C11H16ClN3/c12-10-6-7-11(15-14-10)13-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,13,15)
InChIKey
ZQGVWZFLZIJXHS-UHFFFAOYSA-N
Compound name
6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10327 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.110546 150.0
[M+Na]+ 248.092488 155.6
[M-H]- 224.095994 152.6
[M+NH4]+ 243.137093 165.5
[M+K]+ 264.066428 150.8
[M+H-H2O]+ 208.100530 141.3
[M+HCOO]- 270.101471 164.7
[M+CH3COO]- 284.117121 160.6
[M+Na-2H]- 246.077936 155.8
[M]+ 225.10272142 146.3
[M]- 225.10381858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.