CID 49760242

871112-35-5

Structural Information

Molecular Formula
C17H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-10-8-17(20,9-11-18)13-6-5-7-14(12-13)21-4/h5-7,12,20H,8-11H2,1-4H3
InChIKey
WYAWTKRZLYEDEC-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

307.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 173.7
[M+Na]+ 330.167558 178.6
[M-H]- 306.171064 177.1
[M+NH4]+ 325.212163 188.5
[M+K]+ 346.141498 177.0
[M+H-H2O]+ 290.175600 166.6
[M+HCOO]- 352.176541 188.4
[M+CH3COO]- 366.192191 200.7
[M+Na-2H]- 328.153006 176.6
[M]+ 307.17779142 173.2
[M]- 307.17888858 173.2
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