CID 42553226

902836-72-0

Structural Information

Molecular Formula
C18H27NO4
SMILES
CCOC1=CC=CC=C1OC2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H27NO4/c1-5-21-15-8-6-7-9-16(15)22-14-10-12-19(13-11-14)17(20)23-18(2,3)4/h6-9,14H,5,10-13H2,1-4H3
InChIKey
ATXCDNHUGWLCFY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-ethoxyphenoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.201276 178.2
[M+Na]+ 344.183218 182.2
[M-H]- 320.186724 182.5
[M+NH4]+ 339.227823 191.0
[M+K]+ 360.157158 180.7
[M+H-H2O]+ 304.191260 169.8
[M+HCOO]- 366.192201 194.1
[M+CH3COO]- 380.207851 206.6
[M+Na-2H]- 342.168666 179.7
[M]+ 321.19345142 179.5
[M]- 321.19454858 179.5
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.