CID 117127184

3-chloro-6-cyclopentylpyridazin-4-amine

Structural Information

Molecular Formula
C9H12ClN3
SMILES
C1CCC(C1)C2=NN=C(C(=C2)N)Cl
InChI
InChI=1S/C9H12ClN3/c10-9-7(11)5-8(12-13-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12)
InChIKey
FHRHPERHJSQIBO-UHFFFAOYSA-N
Compound name
3-chloro-6-cyclopentylpyridazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.07198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.079256 142.3
[M+Na]+ 220.061198 150.6
[M-H]- 196.064704 145.6
[M+NH4]+ 215.105803 161.0
[M+K]+ 236.035138 146.0
[M+H-H2O]+ 180.069240 134.6
[M+HCOO]- 242.070181 159.2
[M+CH3COO]- 256.085831 154.7
[M+Na-2H]- 218.046646 145.7
[M]+ 197.07143142 139.4
[M]- 197.07252858 139.4
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.