CID 18525872

1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine

Structural Information

Molecular Formula
C17H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3CCCC3
InChI
InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)15-9-7-8-14(12-15)13-19-10-5-6-11-19/h7-9,12H,5-6,10-11,13H2,1-4H3
InChIKey
AKQLICZDOCQKRA-UHFFFAOYSA-N
Compound name
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

287.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.212936 164.9
[M+Na]+ 310.194878 171.9
[M-H]- 286.198384 174.5
[M+NH4]+ 305.239483 184.2
[M+K]+ 326.168818 171.0
[M+H-H2O]+ 270.202920 159.0
[M+HCOO]- 332.203861 182.7
[M+CH3COO]- 346.219511 177.2
[M+Na-2H]- 308.180326 166.0
[M]+ 287.20511142 165.2
[M]- 287.20620858 165.2
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