CID 49657899

1312921-22-4

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B(C1=CC=CC=C1CN2CCN(CC2)C)(O)O
InChI
InChI=1S/C12H19BN2O2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17/h2-5,16-17H,6-10H2,1H3
InChIKey
MJWYXYIAYRKIRW-UHFFFAOYSA-N
Compound name
[2-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 154.7
[M+Na]+ 257.14318 159.4
[M-H]- 233.14668 155.2
[M+NH4]+ 252.18778 168.2
[M+K]+ 273.11712 155.9
[M+H-H2O]+ 217.15122 146.4
[M+HCOO]- 279.15216 168.9
[M+CH3COO]- 293.16781 187.0
[M+Na-2H]- 255.12863 157.0
[M]+ 234.15341 149.4
[M]- 234.15451 149.4
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