CID 130120201

1314306-11-0

Structural Information

Molecular Formula
C11H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=N2)C)C
InChI
InChI=1S/C11H18BNO2S/c1-7-9(13-8(2)16-7)12-14-10(3,4)11(5,6)15-12/h1-6H3
InChIKey
SOJNTBICQZXGAW-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-(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

2
Patents

239.11513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12241 144.7
[M+Na]+ 262.10435 156.2
[M-H]- 238.10785 153.0
[M+NH4]+ 257.14895 167.8
[M+K]+ 278.07829 156.6
[M+H-H2O]+ 222.11239 142.1
[M+HCOO]- 284.11333 161.2
[M+CH3COO]- 298.12898 190.8
[M+Na-2H]- 260.08980 146.6
[M]+ 239.11458 151.3
[M]- 239.11568 151.3
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