CID 165646498

2246916-35-6

Structural Information

Molecular Formula
C13H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(CC)CC
InChI
InChI=1S/C13H25BO2/c1-7-11(8-2)9-10-14-15-12(3,4)13(5,6)16-14/h9-11H,7-8H2,1-6H3/b10-9+
InChIKey
DFGRRPBVSHPHHC-MDZDMXLPSA-N
Compound name
2-[(E)-3-ethylpent-1-enyl]-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 149.8
[M+Na]+ 247.18398 157.0
[M-H]- 223.18748 154.5
[M+NH4]+ 242.22858 171.9
[M+K]+ 263.15792 157.7
[M+H-H2O]+ 207.19202 147.0
[M+HCOO]- 269.19296 168.5
[M+CH3COO]- 283.20861 191.7
[M+Na-2H]- 245.16943 153.9
[M]+ 224.19421 153.6
[M]- 224.19531 153.6
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.