CID 12680496

75927-46-7

Structural Information

Molecular Formula
C15H27BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27BO4/c1-13(2,3)18-12(17)10-8-9-11-16-19-14(4,5)15(6,7)20-16/h9,11H,8,10H2,1-7H3/b11-9+
InChIKey
CHPNJQLQDQAXMJ-PKNBQFBNSA-N
Compound name
tert-butyl (E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.20023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20751 161.8
[M+Na]+ 305.18945 168.9
[M-H]- 281.19295 166.5
[M+NH4]+ 300.23405 181.7
[M+K]+ 321.16339 170.1
[M+H-H2O]+ 265.19749 159.6
[M+HCOO]- 327.19843 179.0
[M+CH3COO]- 341.21408 200.0
[M+Na-2H]- 303.17490 166.6
[M]+ 282.19968 168.1
[M]- 282.20078 168.1
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.