CID 46739764

(2-piperidin-1-ylpyrimidin-5-yl)boronic acid

Structural Information

Molecular Formula
C9H14BN3O2
SMILES
B(C1=CN=C(N=C1)N2CCCCC2)(O)O
InChI
InChI=1S/C9H14BN3O2/c14-10(15)8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2
InChIKey
JFPMJXGMHDIKLK-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylpyrimidin-5-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

207.1179 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.12518 146.0
[M+Na]+ 230.10712 151.0
[M-H]- 206.11062 145.1
[M+NH4]+ 225.15172 158.8
[M+K]+ 246.08106 148.0
[M+H-H2O]+ 190.11516 137.0
[M+HCOO]- 252.11610 159.8
[M+CH3COO]- 266.13175 179.7
[M+Na-2H]- 228.09257 150.6
[M]+ 207.11735 139.7
[M]- 207.11845 139.7
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