CID 117107200

Refchem:542033

Structural Information

Molecular Formula
C9H14N4
SMILES
C1CCC(C1)C2=NN=C(C(=C2)N)N
InChI
InChI=1S/C9H14N4/c10-7-5-8(12-13-9(7)11)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12)(H2,11,13)
InChIKey
YUXUATBVHQLMJA-UHFFFAOYSA-N
Compound name
6-cyclopentylpyridazine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12184 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 138.0
[M+Na]+ 201.111058 144.9
[M-H]- 177.114564 141.3
[M+NH4]+ 196.155663 156.1
[M+K]+ 217.084998 141.7
[M+H-H2O]+ 161.119100 129.8
[M+HCOO]- 223.120041 160.2
[M+CH3COO]- 237.135691 150.2
[M+Na-2H]- 199.096506 141.7
[M]+ 178.12129142 131.7
[M]- 178.12238858 131.7
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.