CID 146155572

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-yl acetate

Structural Information

Molecular Formula
C13H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CCCOC(=O)C
InChI
InChI=1S/C13H23BO4/c1-10(8-7-9-16-11(2)15)14-17-12(3,4)13(5,6)18-14/h1,7-9H2,2-6H3
InChIKey
URUPDTRFRPZKKZ-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17623 154.5
[M+Na]+ 277.15817 161.6
[M-H]- 253.16167 159.2
[M+NH4]+ 272.20277 175.1
[M+K]+ 293.13211 163.2
[M+H-H2O]+ 237.16621 151.8
[M+HCOO]- 299.16715 172.7
[M+CH3COO]- 313.18280 195.9
[M+Na-2H]- 275.14362 157.8
[M]+ 254.16840 159.9
[M]- 254.16950 159.9
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.