CID 155711265

1608146-56-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.176226 152.5
[M+Na]+ 277.158168 160.4
[M-H]- 253.161674 157.6
[M+NH4]+ 272.202773 173.5
[M+K]+ 293.132108 162.1
[M+H-H2O]+ 237.166210 150.6
[M+HCOO]- 299.167151 170.3
[M+CH3COO]- 313.182801 194.0
[M+Na-2H]- 275.143616 158.3
[M]+ 254.16840142 158.0
[M]- 254.16949858 158.0
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

patents stripe