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

9
Patents

283.02078 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 156.3
[M+Na]+ 306.01000 164.5
[M-H]- 282.01350 161.0
[M+NH4]+ 301.05460 174.6
[M+K]+ 321.98394 152.7
[M+H-H2O]+ 266.01804 156.2
[M+HCOO]- 328.01898 170.3
[M+CH3COO]- 342.03463 189.4
[M+Na-2H]- 303.99545 161.7
[M]+ 283.02023 168.8
[M]- 283.02133 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