CID 59166168

1004294-99-8

Structural Information

Molecular Formula
C16H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCC(=O)N3
InChI
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)13-9-10-14(19)18-13/h5-8,13H,9-10H2,1-4H3,(H,18,19)
InChIKey
NEJCHNAOMQVWRR-UHFFFAOYSA-N
Compound name
5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

287.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17656 162.6
[M+Na]+ 310.15850 170.7
[M-H]- 286.16200 171.6
[M+NH4]+ 305.20310 181.4
[M+K]+ 326.13244 169.2
[M+H-H2O]+ 270.16654 157.6
[M+HCOO]- 332.16748 179.6
[M+CH3COO]- 346.18313 175.0
[M+Na-2H]- 308.14395 163.6
[M]+ 287.16873 162.1
[M]- 287.16983 162.1
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