CID 89739938

Tert-butyl 4-(6-aminopyridazin-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(C=C2)N
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-10(7-9-18)11-4-5-12(15)17-16-11/h4-5,10H,6-9H2,1-3H3,(H2,15,17)
InChIKey
MXVLKZHAGVQJCH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

278.1743 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 169.1
[M+Na]+ 301.16352 174.2
[M-H]- 277.16702 170.7
[M+NH4]+ 296.20812 180.4
[M+K]+ 317.13746 171.4
[M+H-H2O]+ 261.17156 159.7
[M+HCOO]- 323.17250 183.6
[M+CH3COO]- 337.18815 200.4
[M+Na-2H]- 299.14897 171.9
[M]+ 278.17375 165.3
[M]- 278.17485 165.3
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

patents stripe