CID 133635637

2223011-71-8

Structural Information

Molecular Formula
C12H20BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)OC)CC
InChI
InChI=1S/C12H20BNO3S/c1-7-8-9(18-10(14-8)15-6)13-16-11(2,3)12(4,5)17-13/h7H2,1-6H3
InChIKey
VHAJLOYPHYZCEK-UHFFFAOYSA-N
Compound name
4-ethyl-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13298 152.5
[M+Na]+ 292.11492 163.3
[M-H]- 268.11842 160.5
[M+NH4]+ 287.15952 174.2
[M+K]+ 308.08886 164.0
[M+H-H2O]+ 252.12296 149.7
[M+HCOO]- 314.12390 168.9
[M+CH3COO]- 328.13955 195.8
[M+Na-2H]- 290.10037 154.2
[M]+ 269.12515 160.9
[M]- 269.12625 160.9
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.