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]+ 198.07926 142.3
[M+Na]+ 220.06120 150.6
[M-H]- 196.06470 145.6
[M+NH4]+ 215.10580 161.0
[M+K]+ 236.03514 146.0
[M+H-H2O]+ 180.06924 134.6
[M+HCOO]- 242.07018 159.2
[M+CH3COO]- 256.08583 154.7
[M+Na-2H]- 218.04665 145.7
[M]+ 197.07143 139.4
[M]- 197.07253 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.