CID 138979433

2098555-07-6

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/C(C)(C)C
InChI
InChI=1S/C13H25BO2/c1-10(11(2,3)4)9-14-15-12(5,6)13(7,8)16-14/h9H,1-8H3/b10-9+
InChIKey
WYEJKSUBPQILJA-MDZDMXLPSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2,3,3-trimethylbut-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.20204 147.4
[M+Na]+ 247.18398 155.2
[M-H]- 223.18748 152.6
[M+NH4]+ 242.22858 169.8
[M+K]+ 263.15792 156.5
[M+H-H2O]+ 207.19202 145.7
[M+HCOO]- 269.19296 164.7
[M+CH3COO]- 283.20861 191.4
[M+Na-2H]- 245.16943 152.8
[M]+ 224.19421 150.7
[M]- 224.19531 150.7
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

No patent data available for this compound.