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

8
Patents

307.17834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 173.7
[M+Na]+ 330.16756 178.6
[M-H]- 306.17106 177.1
[M+NH4]+ 325.21216 188.5
[M+K]+ 346.14150 177.0
[M+H-H2O]+ 290.17560 166.6
[M+HCOO]- 352.17654 188.4
[M+CH3COO]- 366.19219 200.7
[M+Na-2H]- 328.15301 176.6
[M]+ 307.17779 173.1
[M]- 307.17889 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