CID 72221109

4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C11H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C(C)C
InChI
InChI=1S/C11H21BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h8H,3H2,1-2,4-7H3
InChIKey
XVYCCSDQHPHPLY-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.17075 140.3
[M+Na]+ 219.15269 148.1
[M-H]- 195.15619 145.5
[M+NH4]+ 214.19729 163.4
[M+K]+ 235.12663 149.7
[M+H-H2O]+ 179.16073 138.1
[M+HCOO]- 241.16167 158.6
[M+CH3COO]- 255.17732 187.3
[M+Na-2H]- 217.13814 144.3
[M]+ 196.16292 142.8
[M]- 196.16402 142.8
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