CID 18525715

852227-90-8

Structural Information

Molecular Formula
C16H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCC3
InChI
InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-9-14(10-8-13)18-11-5-6-12-18/h7-10H,5-6,11-12H2,1-4H3
InChIKey
DWJNNJSONWFVBT-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

273.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19728 160.4
[M+Na]+ 296.17922 167.8
[M-H]- 272.18272 170.2
[M+NH4]+ 291.22382 180.3
[M+K]+ 312.15316 167.2
[M+H-H2O]+ 256.18726 154.6
[M+HCOO]- 318.18820 178.5
[M+CH3COO]- 332.20385 173.1
[M+Na-2H]- 294.16467 162.1
[M]+ 273.18945 160.4
[M]- 273.19055 160.4
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