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]+ 225.202036 147.4
[M+Na]+ 247.183978 155.2
[M-H]- 223.187484 152.6
[M+NH4]+ 242.228583 169.8
[M+K]+ 263.157918 156.5
[M+H-H2O]+ 207.192020 145.7
[M+HCOO]- 269.192961 164.7
[M+CH3COO]- 283.208611 191.4
[M+Na-2H]- 245.169426 152.8
[M]+ 224.19421142 150.7
[M]- 224.19530858 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.