CID 45785745

1186115-52-5

Structural Information

Molecular Formula
C13H21BN2O3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=N2)N3CCOCC3
InChI
InChI=1S/C13H21BN2O3S/c1-12(2)13(3,4)19-14(18-12)10-9-20-11(15-10)16-5-7-17-8-6-16/h9H,5-8H2,1-4H3
InChIKey
CHFZTAQAQDBMHX-UHFFFAOYSA-N
Compound name
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

296.1366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14388 163.4
[M+Na]+ 319.12582 173.9
[M+NH4]+ 314.17042 173.8
[M+K]+ 335.09976 167.9
[M-H]- 295.12932 170.4
[M+Na-2H]- 317.11127 169.4
[M]+ 296.13605 167.7
[M]- 296.13715 167.7
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