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]+ 225.202036 149.8
[M+Na]+ 247.183978 157.0
[M-H]- 223.187484 154.5
[M+NH4]+ 242.228583 171.9
[M+K]+ 263.157918 157.7
[M+H-H2O]+ 207.192020 147.0
[M+HCOO]- 269.192961 168.5
[M+CH3COO]- 283.208611 191.7
[M+Na-2H]- 245.169426 153.9
[M]+ 224.19421142 153.6
[M]- 224.19530858 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.