CID 20761836

Tert-butyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C15H29N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)N
InChI
InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h12-13H,4-11,16H2,1-3H3
InChIKey
URRCSHBKELVFHP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

283.22598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.233256 172.8
[M+Na]+ 306.215198 174.3
[M-H]- 282.218704 174.4
[M+NH4]+ 301.259803 185.1
[M+K]+ 322.189138 172.4
[M+H-H2O]+ 266.223240 164.1
[M+HCOO]- 328.224181 183.9
[M+CH3COO]- 342.239831 201.8
[M+Na-2H]- 304.200646 172.0
[M]+ 283.22543142 164.6
[M]- 283.22652858 164.6
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