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]+ 272.222026 169.9
[M+Na]+ 294.203968 172.7
[M-H]- 270.207474 169.1
[M+NH4]+ 289.248573 184.4
[M+K]+ 310.177908 171.0
[M+H-H2O]+ 254.212010 163.2
[M+HCOO]- 316.212951 183.6
[M+CH3COO]- 330.228601 196.1
[M+Na-2H]- 292.189416 170.4
[M]+ 271.21420142 169.0
[M]- 271.21529858 169.0
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