CID 66524864

2223036-01-7

Structural Information

Molecular Formula
C11H17BN2O3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)NC(=O)C
InChI
InChI=1S/C11H17BN2O3S/c1-7(15)14-9-13-6-8(18-9)12-16-10(2,3)11(4,5)17-12/h6H,1-5H3,(H,13,14,15)
InChIKey
CAWPWOIZCNGTJZ-UHFFFAOYSA-N
Compound name
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1053 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11258 154.1
[M+Na]+ 291.09452 163.5
[M-H]- 267.09802 161.8
[M+NH4]+ 286.13912 175.0
[M+K]+ 307.06846 164.1
[M+H-H2O]+ 251.10256 150.8
[M+HCOO]- 313.10350 170.8
[M+CH3COO]- 327.11915 196.0
[M+Na-2H]- 289.07997 156.2
[M]+ 268.10475 159.6
[M]- 268.10585 159.6
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

No patent data available for this compound.