CID 165739384

Methyl 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate

Structural Information

Molecular Formula
C13H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/CCC(=O)OC
InChI
InChI=1S/C13H23BO4/c1-10(7-8-11(15)16-6)9-14-17-12(2,3)13(4,5)18-14/h9H,7-8H2,1-6H3/b10-9+
InChIKey
IVQNFSWTYIMTSY-MDZDMXLPSA-N
Compound name
methyl (E)-4-methyl-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

254.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17623 154.7
[M+Na]+ 277.15817 161.9
[M-H]- 253.16167 159.5
[M+NH4]+ 272.20277 175.4
[M+K]+ 293.13211 163.5
[M+H-H2O]+ 237.16621 152.0
[M+HCOO]- 299.16715 173.0
[M+CH3COO]- 313.18280 195.2
[M+Na-2H]- 275.14362 157.9
[M]+ 254.16840 160.0
[M]- 254.16950 160.0
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.