CID 61533265

1313004-36-2

Structural Information

Molecular Formula
C14H21BN2O2
SMILES
B(C1=CC=C(C=C1)CN2CCN(CC2)C3CC3)(O)O
InChI
InChI=1S/C14H21BN2O2/c18-15(19)13-3-1-12(2-4-13)11-16-7-9-17(10-8-16)14-5-6-14/h1-4,14,18-19H,5-11H2
InChIKey
UPWRYNIERCFODW-UHFFFAOYSA-N
Compound name
[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17690 162.1
[M+Na]+ 283.15884 168.0
[M-H]- 259.16234 166.1
[M+NH4]+ 278.20344 169.8
[M+K]+ 299.13278 163.0
[M+H-H2O]+ 243.16688 153.3
[M+HCOO]- 305.16782 176.7
[M+CH3COO]- 319.18347 194.5
[M+Na-2H]- 281.14429 163.8
[M]+ 260.16907 158.9
[M]- 260.17017 158.9
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