CID 165999832

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

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CC(C)(C)C
InChI
InChI=1S/C13H25BO2/c1-10(9-11(2,3)4)14-15-12(5,6)13(7,8)16-14/h1,9H2,2-8H3
InChIKey
BETQIKBKVQGUNH-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylpent-1-en-2-yl)-4,4,5,5-tetramethyl-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 147.3
[M+Na]+ 247.18398 154.9
[M-H]- 223.18748 152.3
[M+NH4]+ 242.22858 169.6
[M+K]+ 263.15792 156.2
[M+H-H2O]+ 207.19202 145.5
[M+HCOO]- 269.19296 164.5
[M+CH3COO]- 283.20861 192.1
[M+Na-2H]- 245.16943 152.7
[M]+ 224.19421 150.6
[M]- 224.19531 150.6
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.