CID 118994158

4,4,5,5-tetramethyl-2-[(oxan-4-ylidene)methyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CCOCC2
InChI
InChI=1S/C12H21BO3/c1-11(2)12(3,4)16-13(15-11)9-10-5-7-14-8-6-10/h9H,5-8H2,1-4H3
InChIKey
FYMFIPYRLVGJEP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(oxan-4-ylidenemethyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

224.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16565 148.0
[M+Na]+ 247.14759 154.3
[M-H]- 223.15109 156.1
[M+NH4]+ 242.19219 168.1
[M+K]+ 263.12153 156.2
[M+H-H2O]+ 207.15563 144.2
[M+HCOO]- 269.15657 164.4
[M+CH3COO]- 283.17222 186.9
[M+Na-2H]- 245.13304 153.5
[M]+ 224.15782 147.3
[M]- 224.15892 147.3
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

patents stripe