CID 21835183

Tert-butyl 4-(5-hydroxypentyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H29NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCCCO
InChI
InChI=1S/C15H29NO3/c1-15(2,3)19-14(18)16-10-8-13(9-11-16)7-5-4-6-12-17/h13,17H,4-12H2,1-3H3
InChIKey
DCIQIRHJTHCWLD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-hydroxypentyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

271.21475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22203 168.3
[M+Na]+ 294.20397 175.9
[M+NH4]+ 289.24857 173.8
[M+K]+ 310.17791 171.3
[M-H]- 270.20747 166.9
[M+Na-2H]- 292.18942 169.6
[M]+ 271.21420 168.6
[M]- 271.21530 168.6
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