CID 16218348

1073353-61-3

Structural Information

Molecular Formula
C17H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCCC3
InChI
InChI=1S/C17H24BNO3/c1-16(2)17(3,4)22-18(21-16)14-9-7-8-13(12-14)15(20)19-10-5-6-11-19/h7-9,12H,5-6,10-11H2,1-4H3
InChIKey
CLPFNNNIZHMNPT-UHFFFAOYSA-N
Compound name
pyrrolidin-1-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19222 168.2
[M+Na]+ 324.17416 178.7
[M+NH4]+ 319.21876 178.3
[M+K]+ 340.14810 173.9
[M-H]- 300.17766 174.3
[M+Na-2H]- 322.15961 175.2
[M]+ 301.18439 171.7
[M]- 301.18549 171.7
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