CID 51342235

1312762-47-2

Structural Information

Molecular Formula
C11H18BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)OC)C
InChI
InChI=1S/C11H18BNO3S/c1-7-8(17-9(13-7)14-6)12-15-10(2,3)11(4,5)16-12/h1-6H3
InChIKey
YAAVBXCJRVCMDH-UHFFFAOYSA-N
Compound name
2-methoxy-4-methyl-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

255.11005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11733 148.1
[M+Na]+ 278.09927 159.3
[M-H]- 254.10277 156.3
[M+NH4]+ 273.14387 170.4
[M+K]+ 294.07321 160.2
[M+H-H2O]+ 238.10731 145.4
[M+HCOO]- 300.10825 164.8
[M+CH3COO]- 314.12390 192.9
[M+Na-2H]- 276.08472 150.2
[M]+ 255.10950 156.1
[M]- 255.11060 156.1
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.