CID 57517485

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

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(CCC1CCN(CC1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C14H28N2O2/c1-11(15)5-6-12-7-9-16(10-8-12)13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKey
OPFRYURKVRWDKE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminobutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

256.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 166.0
[M+Na]+ 279.20432 168.7
[M-H]- 255.20782 166.4
[M+NH4]+ 274.24892 181.2
[M+K]+ 295.17826 167.7
[M+H-H2O]+ 239.21236 159.2
[M+HCOO]- 301.21330 180.8
[M+CH3COO]- 315.22895 198.8
[M+Na-2H]- 277.18977 165.6
[M]+ 256.21455 162.8
[M]- 256.21565 162.8
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