CID 165655223

2228354-37-6

Structural Information

Molecular Formula
C17H33N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCC2CCNCC2
InChI
InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)20-13-11-19(12-14-20)10-4-5-15-6-8-18-9-7-15/h15,18H,4-14H2,1-3H3
InChIKey
ZHGMCVSCYYREKD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-piperidin-4-ylpropyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.25726 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.26454 182.9
[M+Na]+ 334.24648 183.1
[M-H]- 310.24998 181.4
[M+NH4]+ 329.29108 192.2
[M+K]+ 350.22042 179.9
[M+H-H2O]+ 294.25452 173.2
[M+HCOO]- 356.25546 190.0
[M+CH3COO]- 370.27111 202.5
[M+Na-2H]- 332.23193 181.8
[M]+ 311.25671 175.4
[M]- 311.25781 175.4
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.