CID 89948925

1509899-49-3

Structural Information

Molecular Formula
C13H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(C)(C)C(=O)OC
InChI
InChI=1S/C13H23BO4/c1-11(2,10(15)16-7)8-9-14-17-12(3,4)13(5,6)18-14/h8-9H,1-7H3/b9-8+
InChIKey
QPSFEYWJMDUMMX-CMDGGOBGSA-N
Compound name
methyl (E)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

254.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17623 152.3
[M+Na]+ 277.15817 160.1
[M-H]- 253.16167 157.3
[M+NH4]+ 272.20277 173.2
[M+K]+ 293.13211 161.8
[M+H-H2O]+ 237.16621 150.4
[M+HCOO]- 299.16715 170.1
[M+CH3COO]- 313.18280 194.7
[M+Na-2H]- 275.14362 158.1
[M]+ 254.16840 157.9
[M]- 254.16950 157.9
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

patents stripe