CID 165655903

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

Structural Information

Molecular Formula
C14H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/CCC(=O)OCC
InChI
InChI=1S/C14H25BO4/c1-7-17-12(16)9-8-11(2)10-15-18-13(3,4)14(5,6)19-15/h10H,7-9H2,1-6H3/b11-10+
InChIKey
BUXWIPNJBIUMSL-ZHACJKMWSA-N
Compound name
ethyl (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

268.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.19188 159.4
[M+Na]+ 291.17382 166.1
[M-H]- 267.17732 164.0
[M+NH4]+ 286.21842 179.5
[M+K]+ 307.14776 167.5
[M+H-H2O]+ 251.18186 156.5
[M+HCOO]- 313.18280 177.3
[M+CH3COO]- 327.19845 198.2
[M+Na-2H]- 289.15927 162.1
[M]+ 268.18405 165.1
[M]- 268.18515 165.1
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.