CID 16217940

(e)-2-cyclopropylethylene-1-boronic acid, pinacol ester

Structural Information

Molecular Formula
C11H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CC2
InChI
InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+
InChIKey
FCWYPDPDAZGFRJ-BQYQJAHWSA-N
Compound name
2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

194.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.15509 139.4
[M+Na]+ 217.13703 149.2
[M-H]- 193.14053 148.5
[M+NH4]+ 212.18163 157.5
[M+K]+ 233.11097 150.4
[M+H-H2O]+ 177.14507 136.0
[M+HCOO]- 239.14601 158.7
[M+CH3COO]- 253.16166 186.5
[M+Na-2H]- 215.12248 145.8
[M]+ 194.14726 144.5
[M]- 194.14836 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

literature stripe

Patent stripe

patents stripe