CID 2761041

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

Structural Information

Molecular Formula
C10H12BrN3O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=C(C=N2)Br
InChI
InChI=1S/C10H12BrN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h5-7H,1-4H2,(H,15,16)
InChIKey
NKCDUFJDLOFCEE-UHFFFAOYSA-N
Compound name
1-(5-bromopyrimidin-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

285.0113 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01858 153.2
[M+Na]+ 308.00052 162.6
[M-H]- 284.00402 156.8
[M+NH4]+ 303.04512 167.8
[M+K]+ 323.97446 151.4
[M+H-H2O]+ 268.00856 151.2
[M+HCOO]- 330.00950 166.8
[M+CH3COO]- 344.02515 192.9
[M+Na-2H]- 305.98597 158.6
[M]+ 285.01075 167.7
[M]- 285.01185 167.7
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