CID 46739745

1-{[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl}piperidine

Structural Information

Molecular Formula
C16H26BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CN3CCCCC3
InChI
InChI=1S/C16H26BNO2S/c1-15(2)16(3,4)20-17(19-15)14-9-8-13(21-14)12-18-10-6-5-7-11-18/h8-9H,5-7,10-12H2,1-4H3
InChIKey
KDPVLCCGXRCQCV-UHFFFAOYSA-N
Compound name
1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

307.17773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18501 168.0
[M+Na]+ 330.16695 175.1
[M-H]- 306.17045 177.6
[M+NH4]+ 325.21155 187.4
[M+K]+ 346.14089 174.5
[M+H-H2O]+ 290.17499 163.3
[M+HCOO]- 352.17593 180.3
[M+CH3COO]- 366.19158 179.8
[M+Na-2H]- 328.15240 166.7
[M]+ 307.17718 169.3
[M]- 307.17828 169.3
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