CID 83404813

Tert-butyl 3-(4-hydroxyphenyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-4-5-13(11-17)12-6-8-14(18)9-7-12/h6-9,13,18H,4-5,10-11H2,1-3H3
InChIKey
RSQMHOFSDSDNFB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-hydroxyphenyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

277.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.7
[M+Na]+ 300.15702 171.3
[M-H]- 276.16052 170.0
[M+NH4]+ 295.20162 180.8
[M+K]+ 316.13096 168.7
[M+H-H2O]+ 260.16506 159.2
[M+HCOO]- 322.16600 181.6
[M+CH3COO]- 336.18165 196.0
[M+Na-2H]- 298.14247 168.7
[M]+ 277.16725 164.0
[M]- 277.16835 164.0
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