CID 18425747

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

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCCN
InChI
InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16-10-7-12(8-11-16)6-4-5-9-15/h12H,4-11,15H2,1-3H3
InChIKey
HHOFUZXTBHKGTC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminobutyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

256.2151 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.222376 166.3
[M+Na]+ 279.204318 169.2
[M-H]- 255.207824 166.6
[M+NH4]+ 274.248923 181.6
[M+K]+ 295.178258 167.7
[M+H-H2O]+ 239.212360 159.3
[M+HCOO]- 301.213301 182.1
[M+CH3COO]- 315.228951 197.9
[M+Na-2H]- 277.189766 167.1
[M]+ 256.21455142 163.7
[M]- 256.21564858 163.7
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