CID 131306730

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

Structural Information

Molecular Formula
C11H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCC#C
InChI
InChI=1S/C11H19BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h1H,7-9H2,2-5H3
InChIKey
ZBYQRXBYZUKTPE-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-pent-4-ynyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.15509 133.2
[M+Na]+ 217.13703 144.5
[M-H]- 193.14053 136.9
[M+NH4]+ 212.18163 154.1
[M+K]+ 233.11097 142.4
[M+H-H2O]+ 177.14507 124.1
[M+HCOO]- 239.14601 148.4
[M+CH3COO]- 253.16166 192.4
[M+Na-2H]- 215.12248 139.4
[M]+ 194.14726 131.7
[M]- 194.14836 131.7
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

No patent data available for this compound.