CID 165596639

Tert-butyl 4-[amino(phenyl)methyl]-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(C2=CC=CC=C2)N)O
InChI
InChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)19-11-9-17(21,10-12-19)14(18)13-7-5-4-6-8-13/h4-8,14,21H,9-12,18H2,1-3H3
InChIKey
XFMATFMKAAPDNL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[amino(phenyl)methyl]-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 175.1
[M+Na]+ 329.183558 178.1
[M-H]- 305.187064 177.6
[M+NH4]+ 324.228163 189.0
[M+K]+ 345.157498 176.0
[M+H-H2O]+ 289.191600 167.9
[M+HCOO]- 351.192541 189.0
[M+CH3COO]- 365.208191 202.8
[M+Na-2H]- 327.169006 176.8
[M]+ 306.19379142 170.4
[M]- 306.19488858 170.4
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

No patent data available for this compound.