CID 67587734

1-(3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)pyrrolidine

Structural Information

Molecular Formula
C19H30BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCCCN3CCCC3
InChI
InChI=1S/C19H30BNO3/c1-18(2)19(3,4)24-20(23-18)16-9-7-10-17(15-16)22-14-8-13-21-11-5-6-12-21/h7,9-10,15H,5-6,8,11-14H2,1-4H3
InChIKey
FTSYPIBWYVWQLG-UHFFFAOYSA-N
Compound name
1-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.23187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23915 177.7
[M+Na]+ 354.22109 188.1
[M+NH4]+ 349.26569 187.9
[M+K]+ 370.19503 182.1
[M-H]- 330.22459 184.2
[M+Na-2H]- 352.20654 184.5
[M]+ 331.23132 181.3
[M]- 331.23242 181.3
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.