CID 91811920

2093582-30-8

Structural Information

Molecular Formula
C11H16N4
SMILES
C1CCN(C1)C2=NN=C3CCNCC3=C2
InChI
InChI=1S/C11H16N4/c1-2-6-15(5-1)11-7-9-8-12-4-3-10(9)13-14-11/h7,12H,1-6,8H2
InChIKey
LKRGJCLIGROITR-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.144776 147.7
[M+Na]+ 227.126718 153.5
[M-H]- 203.130224 147.4
[M+NH4]+ 222.171323 162.8
[M+K]+ 243.100658 149.0
[M+H-H2O]+ 187.134760 137.6
[M+HCOO]- 249.135701 161.0
[M+CH3COO]- 263.151351 157.4
[M+Na-2H]- 225.112166 151.9
[M]+ 204.13695142 140.2
[M]- 204.13804858 140.2
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.