CID 59234008

1-boc-4-(4-hydroxy-2-butyl)piperidine

Structural Information

Molecular Formula
C14H27NO3
SMILES
CC(CCO)C1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H27NO3/c1-11(7-10-16)12-5-8-15(9-6-12)13(17)18-14(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKey
ZEOVKUVEPGIQPI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-hydroxybutan-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

257.1991 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.206376 164.7
[M+Na]+ 280.188318 167.8
[M-H]- 256.191824 164.3
[M+NH4]+ 275.232923 179.8
[M+K]+ 296.162258 166.9
[M+H-H2O]+ 240.196360 158.5
[M+HCOO]- 302.197301 177.9
[M+CH3COO]- 316.212951 194.0
[M+Na-2H]- 278.173766 164.7
[M]+ 257.19855142 163.0
[M]- 257.19964858 163.0
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