CID 11830626

159087-41-9

Structural Information

Molecular Formula
C12H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CC(C)(C)C
InChI
InChI=1S/C12H21BO2/c1-10(2,3)8-9-13-14-11(4,5)12(6,7)15-13/h1-7H3
InChIKey
OHUIXIILHRVORA-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylbut-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

208.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17075 139.7
[M+Na]+ 231.15269 151.1
[M-H]- 207.15619 143.7
[M+NH4]+ 226.19729 160.4
[M+K]+ 247.12663 149.3
[M+H-H2O]+ 191.16073 131.3
[M+HCOO]- 253.16167 153.3
[M+CH3COO]- 267.17732 194.3
[M+Na-2H]- 229.13814 146.1
[M]+ 208.16292 137.9
[M]- 208.16402 137.9
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