CID 90042662

1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-ol

Structural Information

Molecular Formula
C16H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCC(C3)O
InChI
InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)12-5-7-13(8-6-12)18-10-9-14(19)11-18/h5-8,14,19H,9-11H2,1-4H3
InChIKey
YVJHCOURLFOOTB-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19222 163.5
[M+Na]+ 312.17416 171.3
[M-H]- 288.17766 172.4
[M+NH4]+ 307.21876 182.3
[M+K]+ 328.14810 170.4
[M+H-H2O]+ 272.18220 158.4
[M+HCOO]- 334.18314 180.3
[M+CH3COO]- 348.19879 175.8
[M+Na-2H]- 310.15961 164.5
[M]+ 289.18439 163.7
[M]- 289.18549 163.7
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