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]+ 226.11055 150.0
[M+Na]+ 248.09249 155.6
[M-H]- 224.09599 152.6
[M+NH4]+ 243.13709 165.5
[M+K]+ 264.06643 150.8
[M+H-H2O]+ 208.10053 141.3
[M+HCOO]- 270.10147 164.7
[M+CH3COO]- 284.11712 160.6
[M+Na-2H]- 246.07794 155.8
[M]+ 225.10272 146.3
[M]- 225.10382 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.