CID 17750277

912369-50-7

Structural Information

Molecular Formula
C16H25BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCNCC3
InChI
InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)19-11-9-18-10-12-19/h5-8,18H,9-12H2,1-4H3
InChIKey
KARUXRFAVXKQFZ-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

288.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20818 167.4
[M+Na]+ 311.19012 173.6
[M-H]- 287.19362 174.0
[M+NH4]+ 306.23472 182.6
[M+K]+ 327.16406 172.1
[M+H-H2O]+ 271.19816 159.3
[M+HCOO]- 333.19910 180.4
[M+CH3COO]- 347.21475 177.8
[M+Na-2H]- 309.17557 169.6
[M]+ 288.20035 163.8
[M]- 288.20145 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe