CID 140238290

1268246-89-4

Structural Information

Molecular Formula
C10H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C10H17BO4/c1-7(8(12)13)6-11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)/b7-6+
InChIKey
VGCPUIWCLXVSHQ-VOTSOKGWSA-N
Compound name
(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12928 142.0
[M+Na]+ 235.11122 149.9
[M-H]- 211.11472 145.9
[M+NH4]+ 230.15582 163.5
[M+K]+ 251.08516 151.3
[M+H-H2O]+ 195.11926 140.0
[M+HCOO]- 257.12020 159.7
[M+CH3COO]- 271.13585 184.4
[M+Na-2H]- 233.09667 146.3
[M]+ 212.12145 144.5
[M]- 212.12255 144.5
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