CID 5472387

125160-21-6

Structural Information

Molecular Formula
C10H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(=O)OC
InChI
InChI=1S/C10H17BO4/c1-9(2)10(3,4)15-11(14-9)7-6-8(12)13-5/h6-7H,1-5H3/b7-6+
InChIKey
YRXVNAIOQAUBNO-VOTSOKGWSA-N
Compound name
methyl (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

33
Patents

212.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12928 140.5
[M+Na]+ 235.11122 149.2
[M-H]- 211.11472 145.8
[M+NH4]+ 230.15582 163.0
[M+K]+ 251.08516 151.1
[M+H-H2O]+ 195.11926 138.2
[M+HCOO]- 257.12020 160.8
[M+CH3COO]- 271.13585 185.3
[M+Na-2H]- 233.09667 146.6
[M]+ 212.12145 145.5
[M]- 212.12255 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe