CID 140799108

2114341-27-2

Structural Information

Molecular Formula
C16H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O[C@H]3CCNC3
InChI
InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)12-5-7-13(8-6-12)19-14-9-10-18-11-14/h5-8,14,18H,9-11H2,1-4H3/t14-/m0/s1
InChIKey
MKUJUQWPQBXXEM-AWEZNQCLSA-N
Compound name
(3S)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

289.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19222 165.0
[M+Na]+ 312.17416 175.5
[M+NH4]+ 307.21876 175.4
[M+K]+ 328.14810 170.5
[M-H]- 288.17766 171.1
[M+Na-2H]- 310.15961 172.1
[M]+ 289.18439 168.5
[M]- 289.18549 168.5
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