CID 46739745

1218790-44-3

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

32
Patents

307.17773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18501 169.4
[M+Na]+ 330.16695 179.5
[M+NH4]+ 325.21155 180.9
[M+K]+ 346.14089 171.8
[M-H]- 306.17045 176.4
[M+Na-2H]- 328.15240 176.1
[M]+ 307.17718 173.7
[M]- 307.17828 173.7
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