CID 25219681

Tert-butyl 4-(3-aminopropoxy)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCCCN
InChI
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-8-5-11(6-9-15)17-10-4-7-14/h11H,4-10,14H2,1-3H3
InChIKey
YGIWHMMPMLSJEC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminopropoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

258.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 164.5
[M+Na]+ 281.18356 167.7
[M-H]- 257.18706 164.9
[M+NH4]+ 276.22816 179.5
[M+K]+ 297.15750 166.9
[M+H-H2O]+ 241.19160 157.5
[M+HCOO]- 303.19254 180.8
[M+CH3COO]- 317.20819 197.0
[M+Na-2H]- 279.16901 165.9
[M]+ 258.19379 163.0
[M]- 258.19489 163.0
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