CID 16794460

1-(5-bromopyridin-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H13BrN2O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2O2/c12-9-1-2-10(13-7-9)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKey
UZHCKHPUYLVRFG-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.01605 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02333 154.6
[M+Na]+ 307.00527 163.6
[M-H]- 283.00877 159.4
[M+NH4]+ 302.04987 170.6
[M+K]+ 322.97921 152.4
[M+H-H2O]+ 267.01331 153.1
[M+HCOO]- 329.01425 169.1
[M+CH3COO]- 343.02990 193.0
[M+Na-2H]- 304.99072 159.4
[M]+ 284.01550 168.9
[M]- 284.01660 168.9
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