CID 165949483

En300-39849718

Structural Information

Molecular Formula
C12H25BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C(C)(C)CCS(=O)(=O)C
InChI
InChI=1S/C12H25BO4S/c1-10(2,8-9-18(7,14)15)13-16-11(3,4)12(5,6)17-13/h8-9H2,1-7H3
InChIKey
CAMKVUMLHGBPKP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-methyl-4-methylsulfonylbutan-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15665 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16393 154.3
[M+Na]+ 299.14587 162.5
[M-H]- 275.14937 159.3
[M+NH4]+ 294.19047 174.8
[M+K]+ 315.11981 163.9
[M+H-H2O]+ 259.15391 153.0
[M+HCOO]- 321.15485 166.9
[M+CH3COO]- 335.17050 196.5
[M+Na-2H]- 297.13132 160.7
[M]+ 276.15610 162.0
[M]- 276.15720 162.0
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.