CID 132344213

2411875-76-6

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

10
Patents

317.21622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.223496 172.3
[M+Na]+ 340.205438 178.7
[M-H]- 316.208944 181.8
[M+NH4]+ 335.250043 190.3
[M+K]+ 356.179378 178.2
[M+H-H2O]+ 300.213480 166.2
[M+HCOO]- 362.214421 189.9
[M+CH3COO]- 376.230071 205.2
[M+Na-2H]- 338.190886 173.2
[M]+ 317.21567142 174.4
[M]- 317.21676858 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