CID 155858583

Tert-butyl 3-[4-(piperazin-1-yl)butyl]piperidine-1-carboxylate dihydrochloride

Structural Information

Molecular Formula
C18H35N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCCCN2CCNCC2
InChI
InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)21-12-6-8-16(15-21)7-4-5-11-20-13-9-19-10-14-20/h16,19H,4-15H2,1-3H3
InChIKey
DVTWTMGADGKXTJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-piperazin-1-ylbutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.27292 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.28020 187.2
[M+Na]+ 348.26214 186.8
[M-H]- 324.26564 185.5
[M+NH4]+ 343.30674 195.8
[M+K]+ 364.23608 183.5
[M+H-H2O]+ 308.27018 177.2
[M+HCOO]- 370.27112 193.9
[M+CH3COO]- 384.28677 205.5
[M+Na-2H]- 346.24759 185.6
[M]+ 325.27237 179.9
[M]- 325.27347 179.9
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.