CID 24774209

1003309-09-8

Structural Information

Molecular Formula
C16H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCC3=O
InChI
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-9-13(10-8-12)18-11-5-6-14(18)19/h7-10H,5-6,11H2,1-4H3
InChIKey
YYSWCEFASKJARU-UHFFFAOYSA-N
Compound name
1-[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

116
Patents

287.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17656 163.2
[M+Na]+ 310.15850 174.7
[M+NH4]+ 305.20310 173.7
[M+K]+ 326.13244 169.5
[M-H]- 286.16200 169.6
[M+Na-2H]- 308.14395 170.6
[M]+ 287.16873 167.0
[M]- 287.16983 167.0
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