CID 82594696

3-(pyrrolidin-3-yl)pyridazine dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CNCC1C2=NN=CC=C2
InChI
InChI=1S/C8H11N3/c1-2-8(11-10-4-1)7-3-5-9-6-7/h1-2,4,7,9H,3,5-6H2
InChIKey
KSRWKOAMFZVBQA-UHFFFAOYSA-N
Compound name
3-pyrrolidin-3-ylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.09529 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 131.2
[M+Na]+ 172.08451 137.8
[M-H]- 148.08801 131.9
[M+NH4]+ 167.12911 148.9
[M+K]+ 188.05845 134.9
[M+H-H2O]+ 132.09255 122.5
[M+HCOO]- 194.09349 149.9
[M+CH3COO]- 208.10914 143.1
[M+Na-2H]- 170.06996 137.2
[M]+ 149.09474 125.7
[M]- 149.09584 125.7
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.