CID 53398055

936353-84-3

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

140
Patents

221.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14084 150.7
[M+Na]+ 244.12278 162.2
[M+NH4]+ 239.16738 157.2
[M+K]+ 260.09672 157.4
[M-H]- 220.12628 151.6
[M+Na-2H]- 242.10823 156.2
[M]+ 221.13301 152.3
[M]- 221.13411 152.3
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