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

46
Patents

257.1991 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.20638 164.7
[M+Na]+ 280.18832 167.8
[M-H]- 256.19182 164.3
[M+NH4]+ 275.23292 179.8
[M+K]+ 296.16226 166.9
[M+H-H2O]+ 240.19636 158.5
[M+HCOO]- 302.19730 177.9
[M+CH3COO]- 316.21295 194.0
[M+Na-2H]- 278.17377 164.7
[M]+ 257.19855 163.0
[M]- 257.19965 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