CID 132344213

En300-658871

Structural Information

Molecular Formula
C18H28BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCCN3CCCC3
InChI
InChI=1S/C18H28BNO3/c1-17(2)18(3,4)23-19(22-17)15-8-7-9-16(14-15)21-13-12-20-10-5-6-11-20/h7-9,14H,5-6,10-13H2,1-4H3
InChIKey
XDPZPFSLPWXSQE-UHFFFAOYSA-N
Compound name
1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

317.21622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22350 172.3
[M+Na]+ 340.20544 178.7
[M-H]- 316.20894 181.8
[M+NH4]+ 335.25004 190.3
[M+K]+ 356.17938 178.2
[M+H-H2O]+ 300.21348 166.2
[M+HCOO]- 362.21442 189.9
[M+CH3COO]- 376.23007 205.2
[M+Na-2H]- 338.19089 173.2
[M]+ 317.21567 174.4
[M]- 317.21677 174.4
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