CID 165596639

En300-1639356

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]+ 307.20162 175.1
[M+Na]+ 329.18356 178.1
[M-H]- 305.18706 177.6
[M+NH4]+ 324.22816 189.0
[M+K]+ 345.15750 176.0
[M+H-H2O]+ 289.19160 167.9
[M+HCOO]- 351.19254 189.0
[M+CH3COO]- 365.20819 202.8
[M+Na-2H]- 327.16901 176.8
[M]+ 306.19379 170.4
[M]- 306.19489 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.