CID 18525868

1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine hydrochloride

Structural Information

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

89
Patents

287.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21294 164.9
[M+Na]+ 310.19488 171.9
[M-H]- 286.19838 174.5
[M+NH4]+ 305.23948 184.2
[M+K]+ 326.16882 171.0
[M+H-H2O]+ 270.20292 159.0
[M+HCOO]- 332.20386 182.7
[M+CH3COO]- 346.21951 177.2
[M+Na-2H]- 308.18033 166.0
[M]+ 287.20511 165.2
[M]- 287.20621 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