CID 165663597

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

Structural Information

Molecular Formula
C12H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C(CC)CC
InChI
InChI=1S/C12H23BO2/c1-7-10(8-2)9-13-14-11(3,4)12(5,6)15-13/h9H,7-8H2,1-6H3
InChIKey
MVMWUEZXGHOQAG-UHFFFAOYSA-N
Compound name
2-(2-ethylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18639 145.2
[M+Na]+ 233.16833 152.8
[M-H]- 209.17183 150.1
[M+NH4]+ 228.21293 167.8
[M+K]+ 249.14227 153.7
[M+H-H2O]+ 193.17637 142.5
[M+HCOO]- 255.17731 164.1
[M+CH3COO]- 269.19296 188.7
[M+Na-2H]- 231.15378 149.8
[M]+ 210.17856 148.5
[M]- 210.17966 148.5
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

No patent data available for this compound.