CID 15891429

2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C8H13BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C#C
InChI
InChI=1S/C8H13BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h1H,2-5H3
InChIKey
ZEOXJIIUMORBNN-UHFFFAOYSA-N
Compound name
2-ethynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

152.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10814 121.1
[M+Na]+ 175.09008 133.6
[M-H]- 151.09358 125.4
[M+NH4]+ 170.13468 143.6
[M+K]+ 191.06402 132.1
[M+H-H2O]+ 135.09812 112.5
[M+HCOO]- 197.09906 137.2
[M+CH3COO]- 211.11471 184.4
[M+Na-2H]- 173.07553 128.7
[M]+ 152.10031 118.6
[M]- 152.10141 118.6
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