CID 11737525

571188-59-5

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)N
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)
InChIKey
RMULRXHUNOVPEI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

975
Patents

278.1743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.181576 169.1
[M+Na]+ 301.163518 174.2
[M-H]- 277.167024 170.7
[M+NH4]+ 296.208123 180.4
[M+K]+ 317.137458 171.4
[M+H-H2O]+ 261.171560 159.7
[M+HCOO]- 323.172501 183.6
[M+CH3COO]- 337.188151 200.4
[M+Na-2H]- 299.148966 171.9
[M]+ 278.17375142 165.3
[M]- 278.17484858 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

literature stripe

Patent stripe

patents stripe