CID 49760778

4-(4-bromophenyl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
C1CNCCC1(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C12H14BrNO2/c13-10-3-1-9(2-4-10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16)
InChIKey
NVDSELFOZXBDOZ-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

283.02078 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.028056 156.3
[M+Na]+ 306.009998 164.5
[M-H]- 282.013504 161.0
[M+NH4]+ 301.054603 174.6
[M+K]+ 321.983938 152.7
[M+H-H2O]+ 266.018040 156.2
[M+HCOO]- 328.018981 170.3
[M+CH3COO]- 342.034631 189.4
[M+Na-2H]- 303.995446 161.7
[M]+ 283.02023142 168.8
[M]- 283.02132858 168.8
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