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

1
Patents

331.23187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.239146 176.8
[M+Na]+ 354.221088 182.7
[M-H]- 330.224594 186.0
[M+NH4]+ 349.265693 194.2
[M+K]+ 370.195028 182.0
[M+H-H2O]+ 314.229130 170.5
[M+HCOO]- 376.230071 194.0
[M+CH3COO]- 390.245721 208.1
[M+Na-2H]- 352.206536 177.1
[M]+ 331.23132142 179.2
[M]- 331.23241858 179.2
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