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]+ 286.018576 153.2
[M+Na]+ 308.000518 162.6
[M-H]- 284.004024 156.8
[M+NH4]+ 303.045123 167.8
[M+K]+ 323.974458 151.4
[M+H-H2O]+ 268.008560 151.2
[M+HCOO]- 330.009501 166.8
[M+CH3COO]- 344.025151 192.9
[M+Na-2H]- 305.985966 158.6
[M]+ 285.01075142 167.7
[M]- 285.01184858 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