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

45
Patents

258.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.201616 164.5
[M+Na]+ 281.183558 167.7
[M-H]- 257.187064 164.9
[M+NH4]+ 276.228163 179.5
[M+K]+ 297.157498 166.9
[M+H-H2O]+ 241.191600 157.5
[M+HCOO]- 303.192541 180.8
[M+CH3COO]- 317.208191 197.0
[M+Na-2H]- 279.169006 165.9
[M]+ 258.19379142 163.0
[M]- 258.19488858 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