CID 167734842

En300-37345472

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2CCCO2
InChI
InChI=1S/C12H21BO3/c1-9(10-7-6-8-14-10)13-15-11(2,3)12(4,5)16-13/h10H,1,6-8H2,2-5H3
InChIKey
MVAXDDGLKJEJCB-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[1-(oxolan-2-yl)ethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 147.8
[M+Na]+ 247.14759 154.5
[M-H]- 223.15109 156.0
[M+NH4]+ 242.19219 169.5
[M+K]+ 263.12153 156.4
[M+H-H2O]+ 207.15563 145.5
[M+HCOO]- 269.15657 165.2
[M+CH3COO]- 283.17222 188.4
[M+Na-2H]- 245.13304 151.0
[M]+ 224.15782 148.6
[M]- 224.15892 148.6
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.