CID 15496053

261638-97-5

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(10(2,3)4)13-14-11(5,6)12(7,8)15-13/h1H2,2-8H3
InChIKey
CONKRSAWXKBHCF-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylbut-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.186386 142.6
[M+Na]+ 233.168328 150.6
[M-H]- 209.171834 147.8
[M+NH4]+ 228.212933 165.4
[M+K]+ 249.142268 152.1
[M+H-H2O]+ 193.176370 140.9
[M+HCOO]- 255.177311 160.1
[M+CH3COO]- 269.192961 189.1
[M+Na-2H]- 231.153776 148.5
[M]+ 210.17856142 145.6
[M]- 210.17965858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe