CID 53398055

(6-(4-methylpiperazin-1-yl)pyridin-3-yl)boronic acid

Structural Information

Molecular Formula
C10H16BN3O2
SMILES
B(C1=CN=C(C=C1)N2CCN(CC2)C)(O)O
InChI
InChI=1S/C10H16BN3O2/c1-13-4-6-14(7-5-13)10-3-2-9(8-12-10)11(15)16/h2-3,8,15-16H,4-7H2,1H3
InChIKey
YGZOCDXCJWHNQN-UHFFFAOYSA-N
Compound name
[6-(4-methylpiperazin-1-yl)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

221.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14084 150.8
[M+Na]+ 244.12278 156.4
[M-H]- 220.12628 150.2
[M+NH4]+ 239.16738 163.4
[M+K]+ 260.09672 153.1
[M+H-H2O]+ 204.13082 142.0
[M+HCOO]- 266.13176 164.3
[M+CH3COO]- 280.14741 183.9
[M+Na-2H]- 242.10823 154.1
[M]+ 221.13301 145.4
[M]- 221.13411 145.4
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