CID 170902920

2246921-13-9

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/C(C)C
InChI
InChI=1S/C12H23BO2/c1-9(2)10(3)8-13-14-11(4,5)12(6,7)15-13/h8-9H,1-7H3/b10-8+
InChIKey
DFRFUAHEBYAJOV-CSKARUKUSA-N
Compound name
2-[(E)-2,3-dimethylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.186386 145.2
[M+Na]+ 233.168328 152.6
[M-H]- 209.171834 150.2
[M+NH4]+ 228.212933 167.8
[M+K]+ 249.142268 154.0
[M+H-H2O]+ 193.176370 142.8
[M+HCOO]- 255.177311 163.2
[M+CH3COO]- 269.192961 189.6
[M+Na-2H]- 231.153776 148.6
[M]+ 210.17856142 148.0
[M]- 210.17965858 148.0
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.