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 169.9
[M+Na]+ 294.20397 172.7
[M-H]- 270.20747 169.1
[M+NH4]+ 289.24857 184.4
[M+K]+ 310.17791 171.0
[M+H-H2O]+ 254.21201 163.2
[M+HCOO]- 316.21295 183.6
[M+CH3COO]- 330.22860 196.1
[M+Na-2H]- 292.18942 170.4
[M]+ 271.21420 169.0
[M]- 271.21530 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