CID 89871084

4,4,5,5-tetraethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H27BO3
SMILES
B1(OC(C(O1)(CC)CC)(CC)CC)OC(C)C
InChI
InChI=1S/C13H27BO3/c1-7-12(8-2)13(9-3,10-4)17-14(16-12)15-11(5)6/h11H,7-10H2,1-6H3
InChIKey
MGXXVDMSMRBVQX-UHFFFAOYSA-N
Compound name
4,4,5,5-tetraethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.21260 154.3
[M+Na]+ 265.19454 161.0
[M-H]- 241.19804 158.9
[M+NH4]+ 260.23914 175.6
[M+K]+ 281.16848 162.8
[M+H-H2O]+ 225.20258 151.2
[M+HCOO]- 287.20352 172.9
[M+CH3COO]- 301.21917 195.2
[M+Na-2H]- 263.17999 158.4
[M]+ 242.20477 160.3
[M]- 242.20587 160.3
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