CID 53842311

Schembl3342725

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-8-15(9-11-19)21-14-6-4-13(12-18)5-7-14/h4-7,15H,8-12,18H2,1-3H3
InChIKey
GJYUZHNHCBMALI-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.19434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.3
[M+Na]+ 329.18356 178.9
[M-H]- 305.18706 179.1
[M+NH4]+ 324.22816 188.2
[M+K]+ 345.15750 176.6
[M+H-H2O]+ 289.19160 166.9
[M+HCOO]- 351.19254 191.7
[M+CH3COO]- 365.20819 206.0
[M+Na-2H]- 327.16901 176.6
[M]+ 306.19379 173.0
[M]- 306.19489 173.0
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