CID 117107200

6-cyclopentylpyridazine-3,4-diamine

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]+ 179.12912 138.0
[M+Na]+ 201.11106 144.9
[M-H]- 177.11456 141.3
[M+NH4]+ 196.15566 156.1
[M+K]+ 217.08500 141.7
[M+H-H2O]+ 161.11910 129.8
[M+HCOO]- 223.12004 160.2
[M+CH3COO]- 237.13569 150.2
[M+Na-2H]- 199.09651 141.7
[M]+ 178.12129 131.7
[M]- 178.12239 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.