CID 122163297

Tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=NN=C(C=C2)N
InChI
InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-4-5-10(17)9-6-7-11(14)16-15-9/h6-7,10H,4-5,8H2,1-3H3,(H2,14,16)
InChIKey
RXRZINLPSCTPIQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 163.8
[M+Na]+ 287.14785 170.2
[M-H]- 263.15135 166.2
[M+NH4]+ 282.19245 177.7
[M+K]+ 303.12179 167.8
[M+H-H2O]+ 247.15589 155.1
[M+HCOO]- 309.15683 180.9
[M+CH3COO]- 323.17248 196.9
[M+Na-2H]- 285.13330 165.6
[M]+ 264.15808 161.9
[M]- 264.15918 161.9
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.