CID 46739046

4-{[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl}morpholine

Structural Information

Molecular Formula
C15H24BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CN3CCOCC3
InChI
InChI=1S/C15H24BNO3S/c1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17/h5-6H,7-11H2,1-4H3
InChIKey
CNLWVADWZRQAFZ-UHFFFAOYSA-N
Compound name
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

309.15698 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16426 166.4
[M+Na]+ 332.14620 173.9
[M-H]- 308.14970 176.7
[M+NH4]+ 327.19080 184.3
[M+K]+ 348.12014 175.1
[M+H-H2O]+ 292.15424 162.5
[M+HCOO]- 354.15518 178.4
[M+CH3COO]- 368.17083 178.6
[M+Na-2H]- 330.13165 166.4
[M]+ 309.15643 169.4
[M]- 309.15753 169.4
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