CID 90042662

2838445-76-2

Structural Information

Molecular Formula
C16H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCC(C3)O
InChI
InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)12-5-7-13(8-6-12)18-10-9-14(19)11-18/h5-8,14,19H,9-11H2,1-4H3
InChIKey
YVJHCOURLFOOTB-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19222 164.3
[M+Na]+ 312.17416 175.2
[M+NH4]+ 307.21876 174.7
[M+K]+ 328.14810 170.4
[M-H]- 288.17766 170.5
[M+Na-2H]- 310.15961 171.2
[M]+ 289.18439 167.9
[M]- 289.18549 167.9
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

No patent data available for this compound.