CID 236543

Dibutyl vinylboronate (stabilized with phenothiazine)

Structural Information

Molecular Formula
C10H21BO2
SMILES
B(C=C)(OCCCC)OCCCC
InChI
InChI=1S/C10H21BO2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h6H,3-5,7-10H2,1-2H3
InChIKey
JQKJEPJLCSCBGW-UHFFFAOYSA-N
Compound name
dibutoxy(ethenyl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

184.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.17075 145.1
[M+Na]+ 207.15269 150.4
[M-H]- 183.15619 144.6
[M+NH4]+ 202.19729 165.2
[M+K]+ 223.12663 149.8
[M+H-H2O]+ 167.16073 139.7
[M+HCOO]- 229.16167 167.0
[M+CH3COO]- 243.17732 185.6
[M+Na-2H]- 205.13814 148.5
[M]+ 184.16292 149.8
[M]- 184.16402 149.8
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