CID 123897364

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

Structural Information

Molecular Formula
C11H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CCC
InChI
InChI=1S/C11H21BO2/c1-7-8-9(2)12-13-10(3,4)11(5,6)14-12/h2,7-8H2,1,3-6H3
InChIKey
GCYIFXCXTTWRIB-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-pent-1-en-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 148.3
[M-H]- 195.15619 145.4
[M+NH4]+ 214.19729 163.4
[M+K]+ 235.12663 149.4
[M+H-H2O]+ 179.16073 137.8
[M+HCOO]- 241.16167 159.6
[M+CH3COO]- 255.17732 186.4
[M+Na-2H]- 217.13814 145.4
[M]+ 196.16292 143.4
[M]- 196.16402 143.4
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

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