CID 3018980

Ethyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C14H18BrNO3
SMILES
CCOC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C14H18BrNO3/c1-2-19-13(17)16-9-7-14(18,8-10-16)11-3-5-12(15)6-4-11/h3-6,18H,2,7-10H2,1H3
InChIKey
ZHNGYEXRMKGVBY-UHFFFAOYSA-N
Compound name
ethyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

327.047 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.054276 166.5
[M+Na]+ 350.036218 175.1
[M-H]- 326.039724 172.5
[M+NH4]+ 345.080823 184.1
[M+K]+ 366.010158 164.4
[M+H-H2O]+ 310.044260 165.8
[M+HCOO]- 372.045201 181.4
[M+CH3COO]- 386.060851 199.1
[M+Na-2H]- 348.021666 170.8
[M]+ 327.04645142 182.9
[M]- 327.04754858 182.9
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