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]+ 332.23915 176.8
[M+Na]+ 354.22109 182.7
[M-H]- 330.22459 186.0
[M+NH4]+ 349.26569 194.2
[M+K]+ 370.19503 182.0
[M+H-H2O]+ 314.22913 170.5
[M+HCOO]- 376.23007 194.0
[M+CH3COO]- 390.24572 208.1
[M+Na-2H]- 352.20654 177.1
[M]+ 331.23132 179.2
[M]- 331.23242 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