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

1
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

patents stripe